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

HCID 453259CAS 132686-98-7

基本情報

標準SMILES: CN1C(=O)c2cccnc2N(CC(=O)OC(C)(C)C)c2ccccc21
InChIKey: NLYXSYJBSDBVBO-UHFFFAOYSA-N
分子式: C19H21N3O3
平均分子量: 339.4 g/mol
単同位体質量: 339.15829154

名称と識別子

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

名称と別名

132686-98-7N6-Methyl-N11-((2-oxoethyl)t-butoxy)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN6-Methyl-N11-[(2-oxoethyl)t-butoxy]-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL412157SCHEMBL8789979DTXSID60157706NLYXSYJBSDBVBO-UHFFFAOYSA-Ntert-Butyl (6-methyl-5-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)acetatetert-butyl 2-(6-methyl-5-oxo-pyrido[3,2-c][1,5]benzodiazepin-11-yl)acetate5,6-Dihydro-11-(t-butoxycarbonyl)methyl-6-methyl-11H-pyrido[2,3-b][1,5]benzodiazepin-5-one

データベース識別子

CAS: 132686-98-7
PubChem CID: 453259
DTXSID: DTXSID60157706
ChEMBL: CHEMBL412157
Nikkaji: J420.505G

物性

構造計算による物性

XLogP: 2.9
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: 25
形式電荷: 0
複雑度: 517