uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935688B2
查看![(4'-{1-ethyl-1-[3-methyl-4-((E)-4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butenyl)-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-acetic Acid 分子结构式](/api/mol/15941993/svg/360x280.svg)
HCID15941993
(4'-{1-ethyl-1-[3-methyl-4-((E)-4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butenyl)-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-acetic Acid
2-[3-[2-methyl-4-[3-[3-methyl-4-[(E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
C32H32F6O3578.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2cccc(CC(=O)O)c2)c(C)c1
- InChIKey
- YRXAYZDEAPORNO-CCEZHUSRSA-N
- 分子式
- C32H32F6O3
- 平均分子量
- 578.6 g/mol
- 单同位素质量
- 578.22556385
COMPUTED
结构计算性质
- XLogP
- 9.5
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 879
ALIASES
名称与别名
(4'-{1-ethyl-1-[3-methyl-4-((E)-4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butenyl)-phenyl]-propyl}-2'-methyl-biphenyl-3-yl)-acetic AcidSCHEMBL1525127
REACTIONS
参与反应