uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434690B2
查看![tert-Butyl 5-[4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]butanoyl}amino)phenyl]-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxylate 分子结构式](/api/mol/117622800/svg/360x280.svg)
HCID117622800
tert-Butyl 5-[4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]butanoyl}amino)phenyl]-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxylate
tert-butyl 3-[4-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]phenyl]-5-oxo-1H-pyrazole-2-carboxylate
C31H30ClN5O6604.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCC(C(=O)Nc1ccc(-c2cc(=O)[nH]n2C(=O)OC(C)(C)C)cc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
- InChIKey
- AGGIQGDBQKZQRK-UHFFFAOYSA-N
- 分子式
- C31H30ClN5O6
- 平均分子量
- 604.1 g/mol
- 单同位素质量
- 603.1884614
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 141 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,270
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL16138123AGGIQGDBQKZQRK-UHFFFAOYSA-Ntert-Butyl 5-[4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]butanoyl}amino)phenyl]-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxylate
REACTIONS
参与反应
uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434690B2
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