HCID18625589

5,11-Dihydro-5-[2-(4-methylphenylsulfonyl)oxyethyl]dibenzo [b,e][1,4]oxazepine

2-(6H-benzo[c][1,5]benzoxazepin-11-yl)ethyl 4-methylbenzenesulfonate

C22H21NO4S395.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)OCCN2c3ccccc3COc3ccccc32)cc1
InChIKey: CANPBVIHKKTJAG-UHFFFAOYSA-N
分子式: C22H21NO4S
平均分子量: 395.5 g/mol
单同位素质量: 395.11912932

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 64.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 4 条

SCHEMBL6802750CANPBVIHKKTJAG-UHFFFAOYSA-N5,11-Dihydro-5-[2-(4-methylphenylsulfonyl)oxyethyl]dibenzo [b,e][1,4]oxazepine5,11-dihydro-5-[2-(4-methylphenylsulfonyl)oxyethyl]dibenzo[b,e][1,4]oxazepine

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06528504B2

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uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06528504B2

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