Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(CN1C(=O)C(CC(=O)Nc2ccc(C)cc2)(NC(=O)Nc2cccc(OC)c2)c2ccccc21)OCC
- InChIKey
- YKZJWNKVQAQUHJ-UHFFFAOYSA-N
- 分子式
- C31H36N4O6
- 平均分子量
- 560.6 g/mol
- 单同位素质量
- 560.26348488
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 118 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 12
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 875
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL7607834YKZJWNKVQAQUHJ-UHFFFAOYSA-NL012029(+)-1-(2,2-Diethoxyethyl)-3-(4-methylphenyl)aminocarbonylmethyl-3-(N'-(3-methoxyphenyl)ureido)indolin-2-one(-)-1-(2,2-Diethoxyethy1)-3-(4-methylphenyl)aminocarbonylmethyl-3-(N'-(3-methoxyphenyl)ureido)indolin-2-one(-)-1-(2,2-Diethoxyethyl)-3-(4-methylphenyl)aminocarbonylmethyl-3-(N'-(3-methoxyphenyl)ureido)indolin-2-one(RS)-1-(2,2-diethoxyethyl)-3-(N'-(3-methoxyphenyl)ureido)-3-((4-methylphenyl)aminocarbonylmethyl)indolin-2-one
REACTIONS
参与反应
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