uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08445674B2
查看![(S)-4-(3-Chloro-4-trifluoromethyl-phenyl)-1-[(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-4-oxo-butyl]-3-methyl-piperazin-2-one 分子结构式](/api/mol/58232129/svg/360x280.svg)
HCID58232129
(S)-4-(3-Chloro-4-trifluoromethyl-phenyl)-1-[(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-4-oxo-butyl]-3-methyl-piperazin-2-one
(3S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1-[(2S)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxy-5-oxopentan-2-yl]-3-methylpiperazin-2-one
C25H33ClF3N3O4532 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC[C@H](CCC(=O)N1CCC2(CC2)[C@H](O)C1)N1CCN(c2ccc(C(F)(F)F)c(Cl)c2)[C@@H](C)C1=O
- InChIKey
- HYNBQFSOQHASPC-DJPFJPOOSA-N
- 分子式
- C25H33ClF3N3O4
- 平均分子量
- 532 g/mol
- 单同位素质量
- 531.2111687
COMPUTED
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 73.3 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 812
ALIASES
名称与别名
(S)-4-(3-Chloro-4-trifluoromethyl-phenyl)-1-[(S)-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-methoxymethyl-4-oxo-butyl]-3-methyl-piperazin-2-oneSCHEMBL1586894
REACTIONS
参与反应