uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439890B2
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HCID136246098
N-(4-chloro-2-fluoro-5-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)benzyl)-2,2,2-trifluoroacetamide
N-[[4-chloro-2-fluoro-5-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2,2-trifluoroacetamide
C18H10ClF7N4O2482.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(NCc1cc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c(Cl)cc1F)C(F)(F)F
- InChIKey
- CVGDEMWFHLUZMI-UHFFFAOYSA-N
- 分子式
- C18H10ClF7N4O2
- 平均分子量
- 482.7 g/mol
- 单同位素质量
- 482.0380504
COMPUTED
结构计算性质
- XLogP
- 4.4
- 极性表面积
- 73.8 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 4
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 753
ALIASES
名称与别名
N-(4-chloro-2-fluoro-5-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)benzyl)-2,2,2-trifluoroacetamideSCHEMBL15551460
REACTIONS
