HCID18412714

1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-sulfonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)amide

ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-(1-methylpyrazol-4-yl)amino]propanoate

C25H27N7O4S521.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCN(c1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C
InChIKey: HGYUMFGQASIJBC-UHFFFAOYSA-N
分子式: C25H27N7O4S
平均分子量: 521.6 g/mol
单同位素质量: 521.18452354

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 144 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 11
重原子: 37
形式电荷: 0
复杂度: 927

ALIASES

名称与别名

共 4 条

SCHEMBL6785607HGYUMFGQASIJBC-UHFFFAOYSA-N1-methyl-2-[N-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-sulphonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)-amide1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-sulfonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)amide

REACTIONS

参与反应

2 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710055B2

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uspto-grants-2000_07 · 10.6084/m9.figshare.5104873.v1 · US06087380

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