uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893099B2
查看![(1S,2S,4S)-2-Isopropoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide 分子结构式](/api/mol/59619470/svg/360x280.svg)
HCID59619470
(1S,2S,4S)-2-Isopropoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
(1S,2S,4S)-N-(1-cyanocyclopropyl)-4-[4-(2-methyl-4-pyridinyl)-2-(trifluoromethyl)phenyl]sulfonyl-2-propan-2-yloxycyclopentane-1-carboxamide
C26H28F3N3O4S535.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(-c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC(C)C)[C@@H](C(=O)NC4(C#N)CC4)C3)c(C(F)(F)F)c2)ccn1
- InChIKey
- ZEYQIXPVJCYNFP-ONTIZHBOSA-N
- 分子式
- C26H28F3N3O4S
- 平均分子量
- 535.6 g/mol
- 单同位素质量
- 535.17526204
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 118 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 999
ALIASES
名称与别名
(1S,2S,4S)-2-Isopropoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139957
REACTIONS
参与反应