HCID66619520

4-(1-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-ethyl)-benzoic acid methyl ester

methyl 4-[1-[2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexylethoxy]ethyl]benzoate

C31H31ClF2N2O3553 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C(C)OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1
InChIKey: ZUOQTRKFJQXQIQ-UHFFFAOYSA-N
分子式: C31H31ClF2N2O3
平均分子量: 553 g/mol
单同位素质量: 552.1991269

COMPUTED

结构计算性质

已同步

XLogP: 7.9
极性表面积: 53.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 39
形式电荷: 0
复杂度: 786

ALIASES

名称与别名

共 3 条

SCHEMBL199129ZUOQTRKFJQXQIQ-UHFFFAOYSA-N4-(1-{2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethoxy}-ethyl)-benzoic acid methyl ester

REACTIONS

参与反应

2 条

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088930B2

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

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