uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08987307B2
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HCID70663180
Methyl 2-(5-(3-((4-(4-fluoro-2-methoxyphenyl)-6-methylpyridin-3-yl)(methyl)carbamoyl)-5-(trifluoromethyl)phenylthio)pentanamido)acetate
methyl 2-[5-[3-[[4-(4-fluoro-2-methoxyphenyl)-6-methyl-3-pyridinyl]-methylcarbamoyl]-5-(trifluoromethyl)phenyl]sulfanylpentanoylamino]acetate
C30H31F4N3O5S621.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)CNC(=O)CCCCSc1cc(C(=O)N(C)c2cnc(C)cc2-c2ccc(F)cc2OC)cc(C(F)(F)F)c1
- InChIKey
- QQPNJBCRVYWABQ-UHFFFAOYSA-N
- 分子式
- C30H31F4N3O5S
- 平均分子量
- 621.6 g/mol
- 单同位素质量
- 621.19205492
COMPUTED
结构计算性质
- XLogP
- 5.2
- 极性表面积
- 123 Ų
- 氢键供体
- 1
- 氢键受体
- 11
- 可旋转键
- 13
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 929
ALIASES
名称与别名
Methyl 2-(5-(3-((4-(4-fluoro-2-methoxyphenyl)-6-methylpyridin-3-yl)(methyl)carbamoyl)-5-(trifluoromethyl)phenylthio)pentanamido)acetateSCHEMBL12097305
REACTIONS
参与反应