uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07910592B2
查看![(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-({6-chloro-3-[5-(2-hydroxy-1,1-dimethylethyl)-2-methoxyphenyl]pyridin-2-yl}methyl)-4-methyl-1,3-oxazolidin-2-one 分子结构式](/api/mol/24969645/svg/360x280.svg)
HCID24969645
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-({6-chloro-3-[5-(2-hydroxy-1,1-dimethylethyl)-2-methoxyphenyl]pyridin-2-yl}methyl)-4-methyl-1,3-oxazolidin-2-one
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[6-chloro-3-[5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenyl]-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
C29H27ClF6N2O4617 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(C(C)(C)CO)cc1-c1ccc(Cl)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
- InChIKey
- PMSNSVZGAQGTGZ-MQNRADLISA-N
- 分子式
- C29H27ClF6N2O4
- 平均分子量
- 617 g/mol
- 单同位素质量
- 616.156354
COMPUTED
结构计算性质
- XLogP
- 7.1
- 极性表面积
- 71.9 Ų
- 氢键供体
- 1
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 915
ALIASES
名称与别名
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-({6-chloro-3-[5-(2-hydroxy-1,1-dimethylethyl)-2-methoxyphenyl]pyridin-2-yl}methyl)-4-methyl-1,3-oxazolidin-2-oneSCHEMBL1506521
REACTIONS
参与反应