HCID453261

N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

11-(2-hydroxyethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

C15H15N3O2269.3 g/molCAS 132686-80-7

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IDENTITY

结构与身份

标准SMILES: CN1C(=O)c2cccnc2N(CCO)c2ccccc21
InChIKey: WMKDCDDFJCFMMJ-UHFFFAOYSA-N
分子式: C15H15N3O2
平均分子量: 269.3 g/mol
单同位素质量: 269.11642673

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 56.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 20
形式电荷: 0
复杂度: 363

ALIASES

名称与别名

共 10 条

132686-80-7N11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-(2-Hydroxyethyl)-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL308491SCHEMBL8790036DTXSID90157698WMKDCDDFJCFMMJ-UHFFFAOYSA-N6,11-Dihydro-11-(2-hydroxyethyl)-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-(2-hydroxyethyl)-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-(2-Hydroxyethyl)-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1996_11 · 10.6084/m9.figshare.5104873.v1 · US05571809

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