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

• ChemBase编号: 207420
• 分子式: C26H23NO3
• 平均质量: 397.46572
• 单一同位素质量: 397.1677936
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2ccc(cc2)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-17-8-10-19(11-9-17)14-27-15-21-12-23-22(20-6-4-3-5-7-20)13-24(28)30-26(23)18(2)25(21)29-16-27/h3-13H,14-16H2,1-2H3
• InChIKey: LKQBTMPAZYBWSX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263330
• PubChem CID: 1779706

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.590306
• LogD (pH = 7.4): 5.688764
• Log P: 5.6901755
• 摩尔折射率: 127.6427 cm^3
• 极化性: 45.419823 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 3
• 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