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
- CC1(OS(C)(=O)=O)CN(C(c2ccccc2)c2ccccc2)C1
- InChIKey
- HLYCKHOZSJZTKH-UHFFFAOYSA-N
- 分子式
- C18H21NO3S
- 平均分子量
- 331.4 g/mol
- 单同位素质量
- 331.12421471
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 55 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 463
物化、安全与法规信息正在同步。
ALIASES
名称与别名
133891-87-91-Benzhydryl-3-methylazetidin-3-yl methanesulfonateDTXSID20435097RefChem:429604DTXCID80385923866-217-51-BENZHYDRYL-3-METHANESULFONYLOXY-3-METHYLAZETIDINEMFCD05664929(1-benzhydryl-3-methylazetidin-3-yl) methanesulfonate(1-benzhydryl-3-methyl-azetidin-3-yl) methanesulfonate1-(diphenylmethyl)-3-methylazetidin-3-yl methanesulfonate1-Benzhydryl-3-mesyloxy-3-methylazetidineHLYCKHOZSJZTKH-UHFFFAOYSA-NSCHEMBL75705AKOS022180787SB50994AS-30272DA-29810SY241857CS-0444948
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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