uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067445B2
查看![{2'-[(Benzyl-methoxycarbonyl-amino)-methyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl ester 分子结构式](/api/mol/66608872/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(Cc2ccccc2)C(=O)OC)c1
- InChIKey
- ZGCKGVWSUWDPFV-UHFFFAOYSA-N
- 分子式
- C27H26F3NO5
- 平均分子量
- 501.5 g/mol
- 单同位素质量
- 501.17630742
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 65.1 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 10
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 712
ALIASES
名称与别名
{2'-[(Benzyl-methoxycarbonyl-amino)-methyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl esterSCHEMBL157849
REACTIONS
