uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09180120B2
查看![2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{2-formamido-2-[3-(trifluoromethyl)phenyl]propyl}acetamide 分子结构式](/api/mol/87085303/svg/360x280.svg)
HCID87085303
2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{2-formamido-2-[3-(trifluoromethyl)phenyl]propyl}acetamide
2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]-N-[2-formamido-2-[3-(trifluoromethyl)phenyl]propyl]acetamide
C24H22ClF6N5O4593.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)(NC=O)c1cccc(C(F)(F)F)c1
- InChIKey
- AQPQSGRGRCCXPX-HXBUSHRASA-N
- 分子式
- C24H22ClF6N5O4
- 平均分子量
- 593.9 g/mol
- 单同位素质量
- 593.1264509
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 114 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 9
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 959
ALIASES
名称与别名
2-{3-(4-Chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-{2-formamido-2-[3-(trifluoromethyl)phenyl]propyl}acetamideSCHEMBL257280
REACTIONS
参与反应