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

• ChemBase编号: 204858
• 分子式: C27H25NO3
• 平均质量: 411.4923
• 单一同位素质量: 411.18344367
• SMILES: c12c(c(c3c(c2)CN(c2c(cc(cc2C)C)C)CO3)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C27H25NO3/c1-16-10-17(2)25(18(3)11-16)28-14-21-12-23-22(20-8-6-5-7-9-20)13-24(29)31-27(23)19(4)26(21)30-15-28/h5-13H,14-15H2,1-4H3
• InChIKey: LLRANUYGWAISAO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260768
• PubChem CID: 1770607

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.8836656
• LogD (pH = 7.4): 6.8836656
• Log P: 6.8836656
• 摩尔折射率: 133.611 cm^3
• 极化性: 46.713432 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 2
• 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