uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557244B2
查看![2-[4'-Chloro-5-(2,5-bis-trifluoromethyl-phenylamino)-3'-trifluoromethyl-biphenyl-3-yl]-4-methyl-pentanoic acid methyl ester 分子结构式](/api/mol/57755009/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)C(CC(C)C)c1cc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1
- InChIKey
- NEHZNYDYRIGMSI-UHFFFAOYSA-N
- 分子式
- C28H23ClF9NO2
- 平均分子量
- 611.9 g/mol
- 单同位素质量
- 611.1273601
COMPUTED
结构计算性质
- XLogP
- 9.9
- 极性表面积
- 38.3 Ų
- 氢键供体
- 1
- 氢键受体
- 12
- 可旋转键
- 8
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 863
ALIASES
名称与别名
2-[4'-Chloro-5-(2,5-bis-trifluoromethyl-phenylamino)-3'-trifluoromethyl-biphenyl-3-yl]-4-methyl-pentanoic acid methyl esterSCHEMBL3907110
REACTIONS
参与反应