(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{1-methyl-5-[(1,2-oxazol-3-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate (HCID 86684522)

基本情報

標準SMILES: CC(=O)OCc1c(-c2cc(Nc3ccon3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O
InChIKey: JBUHPFAWVNNJEZ-UHFFFAOYSA-N
分子式: C29H30N6O5
平均分子量: 542.6 g/mol

名称と識別子

優先名称: (2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{1-methyl-5-[(1,2-oxazol-3-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate
IUPAC: [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[1-methyl-5-(1,2-oxazol-3-ylamino)-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate

名称と別名

SCHEMBL14930458SCHEMBL29741936JBUHPFAWVNNJEZ-UHFFFAOYSA-N(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{1-methyl-5-[(1,2-oxazol-3-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate

データベース識別子

PubChem CID: 86684522

物性

構造計算による物性

XLogP: 2.4
極性表面積: 123 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 7
重原子数: 40
形式電荷: 0
複雑度: 1,110

化合物ノート

読み込み中…