uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08735435B2
查看![(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethoxy)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one 分子结构式](/api/mol/11664637/svg/360x280.svg)
HCID11664637
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethoxy)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethoxy)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
C30H25F10NO4653.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(F)c(C(C)C)cc1-c1ccc(OC(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
- InChIKey
- LCRQRTDXSDFYFN-HAWMADMCSA-N
- 分子式
- C30H25F10NO4
- 平均分子量
- 653.5 g/mol
- 单同位素质量
- 653.1623899
COMPUTED
结构计算性质
- XLogP
- 9.1
- 极性表面积
- 48 Ų
- 氢键供体
- 0
- 氢键受体
- 14
- 可旋转键
- 7
- 重原子
- 45
- 形式电荷
- 0
- 复杂度
- 983
ALIASES
名称与别名
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethoxy)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-oneSCHEMBL531548
REACTIONS
参与反应
uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07652049B2
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