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

• ChemBase编号: 207503
• 分子式: C26H23NO5
• 平均质量: 429.46452
• 单一同位素质量: 429.15762284
• SMILES: c12c(c(c3c(c2)CN(CO3)c2cc(c(cc2)OC)OC)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO5/c1-16-25-18(14-27(15-31-25)19-9-10-22(29-2)23(12-19)30-3)11-21-20(13-24(28)32-26(16)21)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3
• InChIKey: PHGSMMBLFPSXDM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263413
• PubChem CID: 1779938

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.0280585
• LogD (pH = 7.4): 5.0280585
• Log P: 5.0280585
• 摩尔折射率: 131.4138 cm^3
• 极化性: 46.44196 Å^3
• 极化表面积: 57.23 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