uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09050344B2
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HCID90281328
(S)-5-(5-amino-2-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamide
5-[5-amino-2-[(1S)-1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
C30H23F9N6O2670.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- NC(=O)c1cc(-c2cc(N)cnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)ccc1F
- InChIKey
- KIHGHVWWGZBYNT-NRFANRHFSA-N
- 分子式
- C30H23F9N6O2
- 平均分子量
- 670.5 g/mol
- 单同位素质量
- 670.17387746
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 129 Ų
- 氢键供体
- 3
- 氢键受体
- 14
- 可旋转键
- 9
- 重原子
- 47
- 形式电荷
- 0
- 复杂度
- 1,110
ALIASES
名称与别名
(S)-5-(5-amino-2-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamideSCHEMBL15875295
REACTIONS
参与反应