uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03946026
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C1=C(N)NC2=C(C(=O)CCC2)C1c1ccccc1-c1ccccc1
- InChIKey
- AXSATYAHKUICGW-UHFFFAOYSA-N
- 分子式
- C24H24N2O3
- 平均分子量
- 388.5 g/mol
- 单同位素质量
- 388.17869263
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 81.4 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 718
ALIASES
名称与别名
SCHEMBL11690176AXSATYAHKUICGW-UHFFFAOYSA-N2 -amino-4-(biphenyl-2-yl)-1,4,5,6,7,8-hexahydro-5-oxoquinoline- 3-carboxylic acid ethyl ester2-amino-4-(biphenyl-2-yl)-1,4,5,6,7,8-hexahydro-5-oxoquinoline-3-carboxylic acid ethyl ester
REACTIONS
参与反应
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