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

• ChemBase编号: 205289
• 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)c2c(CC)cccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: CCc1ccccc1N1COc2c(C1)cc1c(c2C)oc(=O)cc1c1ccccc1
• InChI: InChI=1S/C26H23NO3/c1-3-18-9-7-8-12-23(18)27-15-20-13-22-21(19-10-5-4-6-11-19)14-24(28)30-26(22)17(2)25(20)29-16-27/h4-14H,3,15-16H2,1-2H3
• InChIKey: MIELUZFIORQKCR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261199
• PubChem CID: 1772577

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.301391
• LogD (pH = 7.4): 6.301391
• Log P: 6.301391
• 摩尔折射率: 128.1296 cm^3
• 极化性: 45.026283 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