(S)-tert-butyl 4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazine-1-carboxylate
(S)-tert-butyl 4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazine-1-carboxylate · CAS 306298-24-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-tert-butyl 4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazine-1-carboxylate
- CAS
- 306298-24-8
- CID
- 29945231
- IUPAC 名称
- tert-butyl (3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazine-1-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-tert-butyl 4-((R)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-methylpiperazine-1-carboxylate
- CAS
- 306298-24-8
- CID
- 29945231
- IUPAC 名称
- tert-butyl (3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazine-1-carboxylate
分子属性
- 分子式
- C20H29F3N2O3
- 分子量
- 402.5 g/mol
- 精确质量
- 402.21302728 Da
- 单同位素质量
- 402.21302728 Da
- XLogP
- 3.6
- 极性表面积
- 42 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 514
结构标识
- InChIKey
- JOBAOQKTQRZNNY-YOEHRIQHSA-N
- SMILES
- C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C
- InChI
- InChI=1S/C20H29F3N2O3/c1-14-12-24(18(26)28-19(2,3)4)10-11-25(14)17(13-27-5)15-6-8-16(9-7-15)20(21,22)23/h6-9,14,17H,10-13H2,1-5H3/t14-,17-/m0/s1