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

• ChemBase编号: 206452
• 分子式: C26H23NO4
• 平均质量: 413.46512
• 单一同位素质量: 413.16270822
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)c1ccc(Oc2ccccc2)cc1
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-3-18-14-24(28)31-26-17(2)25-19(13-23(18)26)15-27(16-29-25)20-9-11-22(12-10-20)30-21-7-5-4-6-8-21/h4-14H,3,15-16H2,1-2H3
• InChIKey: JRVCGOMFOHBFEG-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262362
• PubChem CID: 1775607

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.1544533
• LogD (pH = 7.4): 6.1544533
• Log P: 6.1544533
• 摩尔折射率: 120.0585 cm^3
• 极化性: 45.83295 Å^3
• 极化表面积: 48.0 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