uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05623074
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(C2CNCc3c2ccc(OC)c3OC)cc1OC
- InChIKey
- JMDZQVWWBPAEIM-UHFFFAOYSA-N
- 分子式
- C19H23NO4
- 平均分子量
- 329.4 g/mol
- 单同位素质量
- 329.16270821
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 49 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 394
ALIASES
名称与别名
SCHEMBL8904549JMDZQVWWBPAEIM-UHFFFAOYSA-N7,8-dimethoxy-4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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