HCID5276098

1-Cyclohexyl-2-[2-[3-(3,4-dichlorophenyl)isoxazol-5-yl]-6-quinolyl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[2-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]quinolin-6-yl]benzimidazole-5-carboxylic acid

C32H24Cl2N4O3583.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(-c5ccc(Cl)c(Cl)c5)no4)ccc3c1)n2C1CCCCC1
InChIKey: TXJUUJQUIXQGFK-UHFFFAOYSA-N
分子式: C32H24Cl2N4O3
平均分子量: 583.5 g/mol
单同位素质量: 582.122546

COMPUTED

结构计算性质

已同步

XLogP: 7.7
极性表面积: 94 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 41
形式电荷: 0
复杂度: 923

ALIASES

名称与别名

共 5 条

SCHEMBL4130126TXJUUJQUIXQGFK-UHFFFAOYSA-N1-cyclohexyl-2-[2-[3-(3,4-dichlorophenyl)isoxazol-5-yl]-6-quinolyl]benzimidazole-5-carboxylic acid1-cyclohexyl-2-{2-[3-(3,4-dichloro-phenyl)-isoxazol-5-yl]-quinolin-6-yl}-1H-benzoimidazole-5-carboxylic Acid1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-[2-[3-(3,4-dichlorophenyl)-5-isoxazolyl]-6-quinolinyl]-

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07511145B2

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