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
- CC1CCCCN1C(=O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2
- InChIKey
- QKYKDBZRQPVVSW-UHFFFAOYSA-N
- 分子式
- C20H26ClN3O
- 平均分子量
- 359.9 g/mol
- 单同位素质量
- 359.1764402
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 28.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 501
ALIASES
名称与别名
SCHEMBL4138425QKYKDBZRQPVVSW-UHFFFAOYSA-N2-(8-chloro-1,2,3,4-tetrahydro-2-methyl pyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone2-(8-chloro-1,2,3,4-tetrahydro-2-methylpyrido[4,3-b]indol-5-yl)-1-(2-methylpiperidin-1-yl)ethanone
REACTIONS
参与反应
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