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

• ChemBase编号: 204817
• 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)Cc2cc(c(cc2)OC)OC)C)oc(=O)cc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1CN(COc1c2C)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C28H27NO6/c1-17-27-20(15-29(16-34-27)14-18-5-10-24(32-3)25(11-18)33-4)12-23-22(13-26(30)35-28(17)23)19-6-8-21(31-2)9-7-19/h5-13H,14-16H2,1-4H3
• InChIKey: TYDFQBGDYRIQDS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260727
• PubChem CID: 1770476

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.6741014
• LogD (pH = 7.4): 4.7033544
• Log P: 4.7037406
• 摩尔折射率: 141.9911 cm^3
• 极化性: 51.186615 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