N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453260CAS 132686-99-8

基本情報

標準SMILES: CCOC(=O)CN1c2ccccc2N(C)C(=O)c2cccnc21
InChIKey: AASJIDSEQRFGHQ-UHFFFAOYSA-N
分子式: C17H17N3O3
平均分子量: 311.33 g/mol
単同位体質量: 311.12699141

名称と識別子

優先名称: N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: ethyl 2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate

名称と別名

132686-99-8N6-Methyl-N11-((2-oxoethyl)ethoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN6-Methyl-N11-[(2-oxoethyl)ethoxy]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL72920SCHEMBL8790064DTXSID20157707AASJIDSEQRFGHQ-UHFFFAOYSA-Nethyl 2-(6-methyl-5-oxo-pyrido[3,2-c][1,5]benzodiazepin-11-yl)acetateEthyl (6-methyl-5-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)acetate5,6-dihydro-11-(ethoxy-carbonyl)methyl-6-methyl-11H-pyrido[2,3-b][1,5]benzodiazepin-5-one

データベース識別子

CAS: 132686-99-8
PubChem CID: 453260
DTXSID: DTXSID20157707
ChEMBL: CHEMBL72920
Nikkaji: J420.506E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 62.7 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 456