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

• ChemBase编号: 208681
• 分子式: C19H20N2O5
• 平均质量: 356.3725
• 单一同位素质量: 356.13722175
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1c(OC)cccc1)C(=O)OC)N)C)C
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1OC)c(=O)n(c(c2)C)C
• InChI: InChI=1S/C19H20N2O5/c1-10-9-13-15(18(22)21(10)2)14(11-7-5-6-8-12(11)24-3)16(17(20)26-13)19(23)25-4/h5-9,14H,20H2,1-4H3
• InChIKey: HYXVJGACAQWMLB-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164264591
• PubChem CID: 5172147

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.2520918
• LogD (pH = 7.4): 1.253308
• Log P: 1.2533236
• 摩尔折射率: 107.5353 cm^3
• 极化性: 36.594543 Å^3
• 极化表面积: 91.09 Å^2
• 可自由旋转的化学键: 4
• 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