3-((1-((5-bromo-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3 yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile | 1591827-42-7
中文名称
——
中文别名
——
英文名称
3-((1-((5-bromo-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3 yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile
英文别名
3-((1-((5-Bromo-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile；3-[1-[[5-bromo-1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxy-5-chlorobenzonitrile
CAS
1591827-42-7
化学式
C25H16BrClF3N5O4
mdl
——
分子量
622.785
InChiKey
NVEWKCVQMBXFJO-UHFFFAOYSA-N
BEILSTEIN
——
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
物化性质
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沸点：633.2±65.0 °C(predicted)
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密度：1.59±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
计算性质
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辛醇/水分配系数(LogP)：4.4
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重原子数：39
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可旋转键数：7
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环数：4.0
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sp3杂化的碳原子比例：0.16
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拓扑面积：108
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氢给体数：0
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氢受体数：10
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-chloro-5-(1-(4-methoxybenzyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yloxy)benzonitrile 1591826-99-1 C20H13ClF3N3O3 435.79 —— 3-chloro-5-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yloxy)benzonitrile 1591827-00-7 C12H5ClF3N3O2 315.639 —— methyl 5-bromo-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate 1591827-39-2 C14H13BrN2O4 353.172 —— (5-bromo-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl methanesulfonate 1591827-41-6 C14H15BrN2O5S 403.254 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 3-chloro-5-((1-((5-formyl-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-61-0 C26H17ClF3N5O5 571.9 —— 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-2-(4-methoxybenzyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile 1591827-55-2 C26H16ClF3N6O4 568.899 —— 3-chloro-5-((1-((5-(difluoromethyl)-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-62-1 C26H17ClF5N5O4 593.897 —— 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-2-(4-methoxybenzyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide 1591827-59-6 C26H18ClF3N6O5 586.914 —— 3-((1-((5-acetyl-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile 1591827-65-4 C27H19ClF3N5O5 585.927 —— 3-chloro-5-((1-((1-(4-methoxybenzyl)-6-oxo-5-phenyl-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-43-8 C31H21ClF3N5O4 619.987 —— (E)-methyl-3-(6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-2-(4-methoxybenzyl)-3-oxo-2,3-dihydropyridazin-4-yl)acrylate 1591827-60-9 C29H21ClF3N5O6 627.964 —— 3-chloro-5-((1-((1-(4-methoxybenzyl)-5-(methylsulfonyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-56-3 C26H19ClF3N5O6S 621.981 —— 3-chloro-5-((1-((5-(1,1-difluoroethyl)-1-(4-methoxybenzyl)-6-oxo-1,6-dihydro pyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-66-5 C27H19ClF5N5O4 607.924 —— methyl 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-2-(4-methoxybenzyl)-3-oxo-2,3-dihydropyridazine-4-carboxylate 1591827-58-5 C27H19ClF3N5O6 601.926 —— 3-chloro-5-((1-((1-(4-methoxybenzyl)-6-oxo-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-63-2 C27H18ClF6N5O5 641.914 —— 3-chloro-5-((1-((5-(6-fluoropyridin-3-yl)-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-50-7 C30H19ClF4N6O4 638.965 —— 3-chloro-5-((1-((5-(1-ethoxyvinyl)-1-(4-methoxybenzyl)-6-oxo-1,6-dihydro pyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-64-3 C29H23ClF3N5O5 613.98 —— 3-chloro-5-((1-((1-(4-methoxybenzyl)-6-oxo-5-(1H-pyrazol-1-yl)-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-54-1 C28H19ClF3N7O4 609.952 —— 3-chloro-5-((1-((5-(5-fluoropyridin-2-yl)-1-(4-methoxybenzyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-57-4 C30H19ClF4N6O4 638.965 —— 3-chloro-5-((1-((5-chloro-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-71-6 C17H8Cl2F3N5O3 458.183 —— 3-chloro-5-((1-((5-methoxy-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-03-7 C18H11ClF3N5O4 453.765 —— 3-chloro-5-((1-((5-(difluoromethyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-95-4 C18H9ClF5N5O3 473.746 —— 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide 1591825-93-2 C18H10ClF3N6O4 466.763 —— methyl 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-3-oxo-2,3-dihydropyridazine-4-carboxylate 1591825-91-0 C19H11ClF3N5O5 481.775 —— 3-chloro-5-((1-((5-(1,1-difluoroethyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-99-8 C19H11ClF5N5O3 487.773 —— 3-chloro-5-((1-((5-(methylsulfonyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-81-8 C18H11ClF3N5O5S 501.83 —— 3-chloro-5-((6-oxo-1-((6-oxo-5-phenyl-1,6-dihydropyridazin-3-yl)methyl)-4-(trifluoro methyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591824-21-3 C23H13ClF3N5O3 499.836