6-(4-methoxyphenyl)-10-methyl-3-[(4-methylphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 206536
• 分子式: C27H25NO4
• 平均质量: 427.4917
• 单一同位素质量: 427.17835829
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2ccc(cc2)C)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1)C
• InChI: InChI=1S/C27H25NO4/c1-17-4-6-19(7-5-17)14-28-15-21-12-24-23(20-8-10-22(30-3)11-9-20)13-25(29)32-27(24)18(2)26(21)31-16-28/h4-13H,14-16H2,1-3H3
• InChIKey: IIGYKBIPJWULIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(4-methoxyphenyl)-10-methyl-3-[(4-methylphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 6-(4-methoxyphenyl)-10-methyl-3-[(4-methylphenyl)methyl]-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164262446
• PubChem CID: 1775886

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.430454
• LogD (pH = 7.4): 5.5310583
• Log P: 5.5325046
• 摩尔折射率: 134.1059 cm^3
• 极化性: 47.921417 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds