Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(=O)Nc1ccc(C2=NN=C(C)Cc3cc4c(cc32)OCO4)cc1
- InChIKey
- FQJHGRUTMSOBTP-UHFFFAOYSA-N
- 分子式
- C19H17N3O3
- 平均分子量
- 335.4 g/mol
- 单同位素质量
- 335.12699141
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 72.3 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 580
ALIASES
名称与别名
1-(4-Acetylaminophenyl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepineRefChem:907334FQJHGRUTMSOBTP-UHFFFAOYSA-NSCHEMBL73986701-(4-acetylaminophenyl)-4-methyl-7,8-methylenedioxy-5h-2,3-benzodiazep ine
REACTIONS
参与反应
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