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

• ChemBase编号: 206840
• 分子式: C26H23NO4
• 平均质量: 413.46512
• 单一同位素质量: 413.16270822
• SMILES: c12c(c(c3c(c2)CN(CO3)c2ccc(cc2)OCC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: CCOc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-3-29-21-11-9-20(10-12-21)27-15-19-13-23-22(18-7-5-4-6-8-18)14-24(28)31-26(23)17(2)25(19)30-16-27/h4-14H,3,15-16H2,1-2H3
• InChIKey: ZRHVWRAUQGUIMH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262750
• PubChem CID: 1777363

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.542538
• LogD (pH = 7.4): 5.542538
• Log P: 5.542538
• 摩尔折射率: 129.6992 cm^3
• 极化性: 45.766582 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