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

• ChemBase编号: 207301
• 分子式: C28H27NO5
• 平均质量: 457.51768
• 单一同位素质量: 457.18892297
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C28H27NO5/c1-17-22-13-20-15-29(21-10-11-24(31-3)25(14-21)32-4)16-33-26(20)18(2)27(22)34-28(30)23(17)12-19-8-6-5-7-9-19/h5-11,13-14H,12,15-16H2,1-4H3
• InChIKey: LNNNFUZBAGXMAH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263211
• PubChem CID: 1778642

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.868178
• LogD (pH = 7.4): 5.868178
• Log P: 5.868178
• 摩尔折射率: 131.1962 cm^3
• 极化性: 50.13291 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 5
• 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