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| 1119612-95-1

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1119612-95-1
化学式
C29H20FN3O4S
mdl
——
分子量
525.56
InChiKey
KKENVCUJFLHDOE-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 密度:
    1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.87
  • 重原子数:
    38.0
  • 可旋转键数:
    5.0
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.07
  • 拓扑面积:
    101.48
  • 氢给体数:
    1.0
  • 氢受体数:
    5.0

同类化合物

5,6,7-三甲基-2,6-二氢-1H-吡咯并[3,4-d]吡嗪-1-酮 1-氯-5,6,7-三甲基-6H-吡咯并[3,4-d]吡嗪盐酸盐 (4-Imino-6-mercapto-1,4-dihydro-pyrazolo[3,4-d][1,3]thiazin-3-yl)-acetonitrile 4-Chloro-2,6,7-trimethyl-1,5-dioxo-1,2,3,4,5,6-hexahydropyrido<3,4-d>pyridazine 3-Benzyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one 3-phenethyl-1,5-bis(2-trimethylsilylethoxymethyl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (2-(2'-hydroxyethyl)pyridine)bis(tri-tert-butoxysilanethiolato)cadmium(II) 1-benzyl-5-(2-dimethylamino-ethyl)-1,5-dihydro-pyrrolo[2,3-d]pyridazin-4-one 1,5-Dihydro-1,3,4,5-tetramethylpyrazolo[3,4-c]pyrazole 4,5-diamino-1-t-butyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine 4-(5,7-dimethyl-1-oxo-2-phenyl-1H-pyrrolo[3,4-d]pyridazin-6(2H)-yl)butanoic acid 2,6-dihydro-2-methyl-4-(2-methylpropyl)-6-phenylmethyl-1H-pyrrolo[3,4-d]pyridazin-1-one 1-chloro-4-ethoxy-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4-dichloro-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4-dichloro-6-isopropyl-6H-pyrrolo[3,4-d]pyridazine ethyl 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-7-methyl-6H-pyrrolo[3,4-d]pyridazine-5-carboxylate 1,2-dihydro-5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine-1-one 1,2-dihydro-2,5,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine-1-one 1-ethoxy-5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 2,8-dichloro-6-methylpyrrolo<1,2-b:3,4-d'>dipyridazin-5(6H)-one 5,6,7-trimethyl-6H-pyrrolo<3,4-d>pyridazine 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine 1,4,5,7-tetramethyl-pyrrolo[3,4-d]pyridazin-6-ylamine 5,7-di-2-thienyl-2,3-dihydro-1H-pyrrolo[3,4-d]pyridazine-1,4(6H)-dione 2,3-dihydro-6H-pyrrolo[3,4-d]pyridazine-1,4-dione 5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine 1,2,3,4-tetrahydro-5,7-dimethyl-6H-pyrrolo<3,4-d>pyridazine-1,4-dione 5,10-Dihydro-2,3-dimethoxypyridazino<4',5':3,4>pyrrolo<2,1-a>isochinolin-9(6H)-on 6-Butyl-4-hydroxy-2,5,7-trimethyl-2,6-dihydro-pyrrolo[3,4-d]pyridazin-1-one 4-{5,7-Dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}-N-(propan-2-YL)butanamide 2-{6-[(4-Fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-D]pyridazin-2-YL}-N-(4-methylcyclohexyl)acetamide N-[3-(Azepan-1-YL)propyl]-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-D]pyridazin-2-YL}acetamide N-[2-(Cyclohex-1-EN-1-YL)ethyl]-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}butanamide (6E)-2-methoxy-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 8-chloro-6-methyl-2-(4-methylpiperidin-1-yl)pyrrolo[1,2-b:3,4-d']dipyridazin-5(6H)-one 6-(5-Ethoxypyrazin-2-yl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine 4,5-dimethoxy-N-phenylmethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaen-13-amine;hydrochloride 6-[4-(4-Ethylpiperazin-1-YL)-4-oxobutyl]-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-1-one N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide 6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine 6-[(4-fluorophenyl)methyl]-5,7-dimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one 4,5-dimethoxy-N-phenylmethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaen-13-amine 4-(phenylhydrazinylidene)-2-[(Z)-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]cyclohexa-2,5-dien-1-one 4-(phenylhydrazinylidene)-2-[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)iminomethyl]cyclohexa-2,5-dien-1-one 2,4-dibromo-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 4-chloro-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 2-methoxy-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 4-bromo-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one 2,4-dichloro-6-[[(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one