5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-

HCID 453244CAS 132686-97-6

基本情報

標準SMILES: CN1C(=O)c2cccnc2N(Cc2ccccc2)c2ccccc21
InChIKey: PGMDQXYPQSTTCJ-UHFFFAOYSA-N
分子式: C20H17N3O
平均分子量: 315.4 g/mol
単同位体質量: 315.13716217

名称と識別子

優先名称: 5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-
IUPAC: 11-benzyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

名称と別名

132686-97-65H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-N11-Benzyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-N11-Benzyl-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL73568SCHEMBL8791147DTXSID00157705PGMDQXYPQSTTCJ-UHFFFAOYSA-N11-benzyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-Benzyl-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one6,11-dihydro-11-benzyl-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazapin-5-one

データベース識別子

CAS: 132686-97-6
PubChem CID: 453244
DTXSID: DTXSID00157705
ChEMBL: CHEMBL73568
Nikkaji: J420.515D

物性

構造計算による物性

XLogP: 3.5
極性表面積: 36.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 24
形式電荷: 0
複雑度: 448