HCID68690112

10-[(4-Bromophenyl)sulfonyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

5-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

C25H21BrN4O3S537.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(S(=O)(=O)c1ccc(Br)cc1)C2
InChIKey: ARMNVCMTFDWPJL-UHFFFAOYSA-N
分子式: C25H21BrN4O3S
平均分子量: 537.4 g/mol
单同位素质量: 536.05177

COMPUTED

结构计算性质

等待补全

XLogP: 3.3
极性表面积: 92.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 813

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL3557952ARMNVCMTFDWPJL-UHFFFAOYSA-N10-[(4-Bromophenyl)sulfonyl]-N-(pyridin-3-ylmethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

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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uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07678787B2

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uspto-grants-2010_03 · 10.6084/m9.figshare.5104873.v1 · US07678787B2

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

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