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

• ChemBase编号: 206783
• 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)c2cc(ccc2)C)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)c1cccc(c1)C
• InChI: InChI=1S/C26H23NO4/c1-16-5-4-6-20(11-16)27-14-19-12-23-22(18-7-9-21(29-3)10-8-18)13-24(28)31-26(23)17(2)25(19)30-15-27/h4-13H,14-15H2,1-3H3
• InChIKey: POACITFBYLULQM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262693
• PubChem CID: 1777186

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.6991515
• LogD (pH = 7.4): 5.6991515
• Log P: 5.6991515
• 摩尔折射率: 129.9918 cm^3
• 极化性: 45.68933 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 3
• 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