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

• ChemBase编号: 207496
• 分子式: C28H27NO6
• 平均质量: 473.51708
• 单一同位素质量: 473.18383759
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2c(cc(cc2)OC)OC)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(cc1OC)OC
• InChI: InChI=1S/C28H27NO6/c1-17-27-20(15-29(16-34-27)14-19-7-10-22(32-3)12-25(19)33-4)11-24-23(13-26(30)35-28(17)24)18-5-8-21(31-2)9-6-18/h5-13H,14-16H2,1-4H3
• InChIKey: VXJHJYXJJNOIOQ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263406
• PubChem CID: 1779914

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.6828175
• LogD (pH = 7.4): 4.7034707
• Log P: 4.7037406
• 摩尔折射率: 141.9911 cm^3
• 极化性: 51.185314 Å^3
• 极化表面积: 66.46 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds