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

• ChemBase编号: 204634
• 分子式: C23H25NO4
• 平均质量: 379.4489
• 单一同位素质量: 379.17835829
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)CCc1ccc(cc1)OC
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(CCc3ccc(cc3)OC)COc1c2C
• InChI: InChI=1S/C23H25NO4/c1-4-17-12-21(25)28-23-15(2)22-18(11-20(17)23)13-24(14-27-22)10-9-16-5-7-19(26-3)8-6-16/h5-8,11-12H,4,9-10,13-14H2,1-3H3
• InChIKey: ANEUFLQUSXYBLM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260544
• PubChem CID: 1769236

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.2514443
• LogD (pH = 7.4): 4.611303
• Log P: 4.618509
• 摩尔折射率: 109.15 cm^3
• 极化性: 42.01443 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds