methyl 2-{3-[(3-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate

• ChemBase编号: 216729
• 分子式: C24H25NO6
• 平均质量: 423.4584
• 单一同位素质量: 423.16818753
• SMILES: c12c(c(c(c(=O)o1)CC(=O)OC)C)cc1c(c2C)OCN(C1)Cc1cc(OC)ccc1
• Canonical SMILES: COC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)Cc1cccc(c1)OC
• InChI: InChI=1S/C24H25NO6/c1-14-19-9-17-12-25(11-16-6-5-7-18(8-16)28-3)13-30-22(17)15(2)23(19)31-24(27)20(14)10-21(26)29-4/h5-9H,10-13H2,1-4H3
• InChIKey: OMPFEJXXXADPRA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-{3-[(3-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate
• IUPAC传统名: methyl 2-{3-[(3-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-2H,4H-chromeno[6,7-e][1,3]oxazin-7-yl}acetate

登记号

• PubChem SID: 164272639
• PubChem CID: 4913863

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.4983811
• LogD (pH = 7.4): 3.550346
• Log P: 3.5510504
• 摩尔折射率: 115.1866 cm^3
• 极化性: 44.7093 Å^3
• 极化表面积: 74.3 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