uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248693
查看![N-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-yl-methyl]-3-methoxybenzoyl]-2-(3-hydroxy-3-methyl-but-1-yn-1-yl)-benzenesulfonamide 分子结构式](/api/mol/19793571/svg/360x280.svg)
HCID19793571
N-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-yl-methyl]-3-methoxybenzoyl]-2-(3-hydroxy-3-methyl-but-1-yn-1-yl)-benzenesulfonamide
cyclopentyl N-[3-[[4-[[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
C35H37N3O7S643.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(C(=O)NS(=O)(=O)c2ccccc2C#CC(C)(C)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
- InChIKey
- HDVSMQDRCRUEGN-UHFFFAOYSA-N
- 分子式
- C35H37N3O7S
- 平均分子量
- 643.7 g/mol
- 单同位素质量
- 643.2352217
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 144 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 11
- 重原子
- 46
- 形式电荷
- 0
- 复杂度
- 1,250
ALIASES
名称与别名
SCHEMBL9586049HDVSMQDRCRUEGN-UHFFFAOYSA-NN-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-yl-methyl]-3-methoxybenzoyl]-2-(3-hydroxy-3-methyl-but-1-yn-1-yl)-benzenesulfonamide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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