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

• ChemBase编号: 205326
• 分子式: C22H23NO3
• 平均质量: 349.42292
• 单一同位素质量: 349.1677936
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)N1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C22H23NO3/c1-5-16-6-8-18(9-7-16)23-11-17-10-19-13(2)14(3)22(24)26-21(19)15(4)20(17)25-12-23/h6-10H,5,11-12H2,1-4H3
• InChIKey: GXERIEFVAKVCDJ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261236
• PubChem CID: 1772713

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.563138
• LogD (pH = 7.4): 5.563138
• Log P: 5.563138
• 摩尔折射率: 103.216 cm^3
• 极化性: 39.110535 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