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

• ChemBase编号: 205996
• 分子式: C23H25NO5
• 平均质量: 395.4483
• 单一同位素质量: 395.17327291
• SMILES: c12c(c(cc(=O)o2)CC)cc2c(c1C)OCN(C2)Cc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1CN1COc2c(C1)cc1c(c2C)oc(=O)cc1CC
• InChI: InChI=1S/C23H25NO5/c1-5-15-9-21(25)29-23-14(2)22-17(8-19(15)23)12-24(13-28-22)11-16-6-7-18(26-3)10-20(16)27-4/h6-10H,5,11-13H2,1-4H3
• InChIKey: VIEGIHPXUWXWGT-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261906
• PubChem CID: 1806421

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.1510816
• LogD (pH = 7.4): 4.171904
• Log P: 4.1721764
• 摩尔折射率: 110.8582 cm^3
• 极化性: 42.76713 Å^3
• 极化表面积: 57.23 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