3-(3-(4-bromophenyl)propyl)-1-(4-tert-butylbenzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one | 1454928-51-8
中文名称
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中文别名
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英文名称
3-(3-(4-bromophenyl)propyl)-1-(4-tert-butylbenzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one
英文别名
3-(3-(4-Bromophenyl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one；5-[3-(4-bromophenyl)propyl]-2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,2,4-triazol-3-one
CAS
1454928-51-8
化学式
C24H30BrN3O
mdl
——
分子量
456.426
InChiKey
YSDVMTGHRJWPJL-UHFFFAOYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：6
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重原子数：29
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可旋转键数：8
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环数：3.0
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sp3杂化的碳原子比例：0.42
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拓扑面积：35.9
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氢给体数：0
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氢受体数：2
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 3-(3-(4-bromophenyl)propyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one 1454928-46-1 C13H16BrN3O 310.194 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 3-(3-(3'-amino-[1,1'-biphenyl]-4-yl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one 1454925-55-3 C30H36N4O 468.642 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)acetic acid 1454925-50-8 C32H37N3O3 511.664 —— 3-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)propanoic acid 1454925-85-9 C33H39N3O3 525.691 —— 2-(4-bromo-4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)acetonitrile 1454928-65-4 C32H35BrN4O 571.56 —— 3-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)acrylic acid 1454925-83-7 C33H37N3O3 523.675 —— 5-[3-[4-(5-Aminopyrimidin-2-yl)phenyl]propyl]-2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,2,4-triazol-3-one 1454928-68-7 C28H34N6O 470.618 —— ethyl 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)acetate 1454928-57-4 C34H41N3O3 539.718 —— 3-(3-(4-(5-aminopyridin-2-yl)phenyl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one 1454925-54-2 C29H35N5O 469.63 —— 3-(3-(3'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one 1454925-78-0 C31H35N7O 521.665 —— 1-(4-tert-butylbenzyl)-4-ethyl-3-(3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propyl)-1H-1.2.4-triazol-5(4H)-one 1454928-56-3 C30H42BN3O3 503.493 —— 3-(3-(4-(6-aminopyridin-2-yl)phenyl)propyl)-1-(4-(tert-butyl)benzyl)-4-ethyl-1H-1,2,4-triazol-5(4H)-one 1454925-52-0 C29H35N5O 469.63 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-4-yl)-N-cyclopropyl-2-hydroxyacetamide 1454926-00-1 C35H42N4O3 566.743 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-4-yl)-N-cyclopropyl-2-oxoacetamide 1454926-01-2 C35H40N4O3 564.728 —— 1-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)cyclopropanecarboxylic acid 1454925-62-2 C34H39N3O3 537.702 —— 1-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)cyclopropanecarboxamide 1454925-63-3 C34H40N4O2 536.717 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)-2,2-difluoroacetic acid 1454925-77-9 C32H35F2N3O3 547.645 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-4-(ethylthio)-[1,1'-biphenyl]-3-yl)acetonitrile 1454928-66-5 C34H40N4OS 552.784 —— N-[4-[4-[3-[1-[(4-tert-butylphenyl)methyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenyl]phenyl]benzenesulfonamide 1609109-79-6 C36H40N4O3S 608.805 —— 2-(5-{4-[3-(1-{[4-(tert-butyl)phenyl]methyl}-4-ethyl-5-oxo-4,5-dihydro-1H-(1,2,4-triazolin-3-yl))propyl]phenyl}-2-ethylthiophenyl)acetic acid 1454926-10-3 C34H41N3O3S 571.784 —— 2-(4'-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)-[1,1'-biphenyl]-3-yl)-N-(phenylsulfonyl)acetamide 1454925-57-5 C38H42N4O4S 650.842 —— N-(6-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyridin-3-yl)methanesulfonamide 1454925-61-1 C30H37N5O3S 547.721 —— N-[3-[4-[3-[1-[(4-tert-butylphenyl)methyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenyl]phenyl]benzenesulfonamide 1609109-78-5 C36H40N4O3S 608.805 —— 2-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)oxazole-4-carboxylic acid 1454928-60-9 C28H32N4O4 488.586 —— 3-{3-[4-(6-amino-5-methoxy-(2-pyridyl))phenyl]propyl}-1-{[4-(tert-butyl)phenyl]methyl}-4-ethyl-4,5-dihydro-1H-1,2,4-triazolin-5-one 1454926-07-8 C30H37N5O2 499.656 —— N-(2-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyrimidin-5-yl)benzenesulfonamide 1454926-58-9 C34H38N6O3S 610.78 —— tert-butyl (2-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)oxazol-4-yl)carbamate 1454925-74-6 C32H41N5O4 559.709 —— 1-{[4-(tert-butyl)phenyl]methyl}-4-ethyl-3-{3-[4-(5-{[benzylsulfonyl]amino}(2-pyridyl))phenyl]propyl}-4,5-dihydro-1H-1,2,4-triazolin-5-one 1454926-28-3 C36H41N5O3S 623.819 —— ethyl 2-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)oxazole-4-carboxylate 1454928-07-4 C30H36N4O4 516.64 —— N-[5-[4-[3-[1-[(4-tert-butylphenyl)methyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenyl]pyridin-2-yl]benzenesulfonamide 1609109-80-9 C35H39N5O3S 609.792 —— N-(6-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyridin-3-yl)benzenesulfonamide 1454925-59-7 C35H39N5O3S 609.792 —— N-(5-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyrazin-2-yl)benzenesulfonamide 1454926-68-1 C34H38N6O3S 610.78 —— N-(6-(4-(3-(1-(4-(tert-butyl)benzyl)-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl)phenyl)pyridin-2-yl)benzenesulfonamide 1454925-53-1 C35H39N5O3S 609.792 —— 1-(4-(tert-butyl)benzyl)-4-ethyl-3-(3-(4-(5-methoxy-6-nitropyridin-2-yl)phenyl)propyl)-1H-1 ,2,4-triazol-5(4H)-one 1454928-28-9 C30H35N5O4 529.639 —— 1-{[4-(tert-butyl)phenyl]methyl}-4-ethyl-3-[3-(4-{5-methoxy-6-[(phenylsulfonyl)amino](2-pyridyl)}phenyl)propyl]-4,5-dihydro-1H-1,2,4-triazolin-5-one 1454926-08-9 C36H41N5O4S 639.819 —— 1-{[4-(tert-butyl)phenyl]methyl}-4-ethyl-3-[3-(4-{5-methoxy-6-[N-methyl(phenylsulfonyl)amino](2-pyridyl)}phenyl)propyl]-4,5-dihydro-1H-1,2,4-triazolin-5-one 1454926-60-3 C37H43N5O4S 653.846