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
- CC1CC(N(Cc2ccccc2)Cc2ccccc2)CC1C(=O)CBr
- InChIKey
- XPHMZNBRJVGILH-UHFFFAOYSA-N
- 分子式
- C22H26BrNO
- 平均分子量
- 400.4 g/mol
- 单同位素质量
- 399.11978
COMPUTED
结构计算性质
- XLogP
- 5.1
- 极性表面积
- 20.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 7
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 394
ALIASES
名称与别名
SCHEMBL1933486XPHMZNBRJVGILH-UHFFFAOYSA-NDB-1030762-bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone1310730-04-1
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
查看uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08426411B2
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