6-ethyl-10-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 205816
• 分子式: C24H27NO6
• 平均质量: 425.47428
• 单一同位素质量: 425.18383759
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)Cc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C24H27NO6/c1-6-16-10-21(26)31-23-14(2)22-17(9-18(16)23)12-25(13-30-22)11-15-7-19(27-3)24(29-5)20(8-15)28-4/h7-10H,6,11-13H2,1-5H3
• InChIKey: OQUCIRFLQUDNMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-10-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 6-ethyl-10-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164261726
• PubChem CID: 1774986

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.995733
• LogD (pH = 7.4): 4.0142636
• Log P: 4.014505
• 摩尔折射率: 117.3214 cm^3
• 极化性: 45.296375 Å^3
• 极化表面积: 66.46 Å^2
• 可自由旋转的化学键: 6
• 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