uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09133162B2
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HCID68193999
N-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide maleate
(Z)-but-2-enedioic acid;N-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
C35H33FN4O9672.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.O=C(O)/C=C\C(=O)O
- InChIKey
- VXIUJCGUVXXLOB-BTJKTKAUSA-N
- 分子式
- C35H33FN4O9
- 平均分子量
- 672.7 g/mol
- 单同位素质量
- 672.22315681
COMPUTED
结构计算性质
- 极性表面积
- 179 Ų
- 氢键供体
- 4
- 氢键受体
- 12
- 可旋转键
- 10
- 重原子
- 49
- 形式电荷
- 0
- 复杂度
- 1,100
ALIASES
名称与别名
SCHEMBL12004019VXIUJCGUVXXLOB-BTJKTKAUSA-NN-(3-fluoro-4-((7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl)oxy)phenyl)-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide maleate
REACTIONS
参与反应