(S)-N-((S)-(3,5-Difluorophenyl)(5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-YL)methyl)-2-methylpropane-2-sulfinamide
(S)-N-((S)-(3,5-Difluorophenyl)(5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-YL)methyl)-2-methylpropane-2-sulfinamide · CAS 2696252-33-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-N-((S)-(3,5-Difluorophenyl)(5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-YL)methyl)-2-methylpropane-2-sulfinamide
- CAS
- 2696252-33-0
- CID
- 166597666
- IUPAC 名称
- (S)-N-[(S)-(3,5-difluorophenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (S)-N-((S)-(3,5-Difluorophenyl)(5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-YL)methyl)-2-methylpropane-2-sulfinamide
- CAS
- 2696252-33-0
- CID
- 166597666
- IUPAC 名称
- (S)-N-[(S)-(3,5-difluorophenyl)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)methyl]-2-methylpropane-2-sulfinamide
分子属性
- 分子式
- C38H36F2NO2PS
- 分子量
- 639.7 g/mol
- 精确质量
- 639.21724389 Da
- 单同位素质量
- 639.21724389 Da
- XLogP
- 9.2
- 极性表面积
- 57.5 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 8
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 967
结构标识
- InChIKey
- OTUAAFKLHSXHKW-LEEIDUJMSA-N
- SMILES
- CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC=C51)[C@H](C6=CC(=CC(=C6)F)F)N[S@@](=O)C(C)(C)C)C
- InChI
- InChI=1S/C38H36F2NO2PS/c1-37(2,3)45(42)41-34(25-22-26(39)24-27(40)23-25)30-18-12-19-31-35(30)43-36-32(38(31,4)5)20-13-21-33(36)44(28-14-8-6-9-15-28)29-16-10-7-11-17-29/h6-24,34,41H,1-5H3/t34-,45-/m0/s1