uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741341B2
查看![1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid methyl ester 分子结构式](/api/mol/11466409/svg/360x280.svg)
HCID11466409
1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid methyl ester
methyl 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate
C25H29ClN6O4513 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cccc2c1nc(C(=O)NC1CCN(C(C)C)CC1)n2CC(=O)Nc1ccc(Cl)cn1
- InChIKey
- HUXHMUUXTATWJQ-UHFFFAOYSA-N
- 分子式
- C25H29ClN6O4
- 平均分子量
- 513 g/mol
- 单同位素质量
- 512.1938811
COMPUTED
结构计算性质
- XLogP
- 3.2
- 极性表面积
- 118 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 793
ALIASES
名称与别名
SCHEMBL3370041HUXHMUUXTATWJQ-UHFFFAOYSA-N1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid methyl ester
REACTIONS
