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

• ChemBase编号: 206253
• 分子式: C26H23NO4
• 平均质量: 413.46512
• 单一同位素质量: 413.16270822
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2c(OC)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: COc1ccccc1CN1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO4/c1-17-25-20(15-27(16-30-25)14-19-10-6-7-11-23(19)29-2)12-22-21(13-24(28)31-26(17)22)18-8-4-3-5-9-18/h3-13H,14-16H2,1-2H3
• InChIKey: HSQFMDKMUROZTC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262163
• PubChem CID: 1807253

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.9809685
• LogD (pH = 7.4): 5.018582
• Log P: 5.019083
• 摩尔折射率: 129.0647 cm^3
• 极化性: 46.156597 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