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

• ChemBase编号: 207068
• 分子式: C27H25NO5
• 平均质量: 443.4911
• 单一同位素质量: 443.17327291
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)OCC)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: CCOc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccc(cc1)OC
• InChI: InChI=1S/C27H25NO5/c1-4-31-22-11-7-20(8-12-22)28-15-19-13-24-23(18-5-9-21(30-3)10-6-18)14-25(29)33-27(24)17(2)26(19)32-16-28/h5-14H,4,15-16H2,1-3H3
• InChIKey: WCFNMIXRZJHIQL-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262978
• PubChem CID: 1777937

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.3848667
• LogD (pH = 7.4): 5.3848667
• Log P: 5.3848667
• 摩尔折射率: 136.1624 cm^3
• 极化性: 48.280582 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 5
• 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