methyl 2-amino-4-(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate

• ChemBase编号: 194808
• 分子式: C29H32N2O8
• 平均质量: 536.57298
• 单一同位素质量: 536.21586599
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(c(cc1)OC)OC)C(=O)OC)N)C)CCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCn1c(C)cc2c(c1=O)C(c1ccc(c(c1)OC)OC)C(=C(O2)N)C(=O)OC
• InChI: InChI=1S/C29H32N2O8/c1-16-13-23-25(28(32)31(16)12-11-17-7-9-19(34-2)21(14-17)36-4)24(26(27(30)39-23)29(33)38-6)18-8-10-20(35-3)22(15-18)37-5/h7-10,13-15,24H,11-12,30H2,1-6H3
• InChIKey: FPRTZSGXKGQZBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-amino-4-(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H,5H,6H-pyrano[3,2-c]pyridine-3-carboxylate
• IUPAC传统名: methyl 2-amino-4-(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

登记号

• PubChem SID: 164250718
• PubChem CID: 3758392

理论计算性质

• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 2.7922094
• LogD (pH = 7.4): 2.7934284
• Log P: 2.7934442
• 摩尔折射率: 156.2925 cm^3
• 极化性: 55.593956 Å^3
• 极化表面积: 118.78 Å^2
• 可自由旋转的化学键: 10
• 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