HCID11299472

7-Methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine

2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl methanesulfonate

C11H15NO3S241.31 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)Oc1ccc2c(c1)CCNCC2
InChIKey: CZDYVNNSJARDTC-UHFFFAOYSA-N
分子式: C11H15NO3S
平均分子量: 241.31 g/mol
单同位素质量: 241.07726451

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 63.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 323

ALIASES

名称与别名

共 4 条

SCHEMBL4033082CZDYVNNSJARDTC-UHFFFAOYSA-N7-Methanesulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine7-Methanesulphonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine

REACTIONS

参与反应

5 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429579B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429579B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06605607B1

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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