HCID178509948

2-amino-4-bromo-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide

2-amino-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide

C18H11BrCl2FN5O2499.1 g/mol

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IDENTITY

结构与身份

标准SMILES: N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]c(N)nc3Br)c2F)c1
InChIKey: NPKWJQUEWXKUBS-UHFFFAOYSA-N
分子式: C18H11BrCl2FN5O2
平均分子量: 499.1 g/mol
单同位素质量: 496.94572

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 117 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 5
重原子: 29
形式电荷: 0
复杂度: 641

ALIASES

名称与别名

共 4 条

2-amino-4-bromo-N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamideSCHEMBL3027971NPKWJQUEWXKUBS-UHFFFAOYSA-N2-amino-4-bromo-N-[[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]methyl]-1H-imidazole-5-carboxamide

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304419B2

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