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

• ChemBase编号: 206660
• 分子式: C23H25NO3
• 平均质量: 363.4495
• 单一同位素质量: 363.18344367
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(c2c(cc(cc2C)C)C)C1
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C23H25NO3/c1-12-7-13(2)20(14(3)8-12)24-10-18-9-19-15(4)16(5)23(25)27-22(19)17(6)21(18)26-11-24/h7-9H,10-11H2,1-6H3
• InChIKey: PRMOSFXBJIDBQU-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262570
• PubChem CID: 1776266

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.145412
• LogD (pH = 7.4): 6.145412
• Log P: 6.145412
• 摩尔折射率: 108.6974 cm^3
• 极化性: 40.798756 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 1
• 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