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

• ChemBase编号: 210703
• 分子式: C22H20N2O5
• 平均质量: 392.4046
• 单一同位素质量: 392.13722175
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1ccccc1)C(=O)OC)N)C)Cc1occc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1ccccc1)c(=O)n(c(c2)C)Cc1ccco1
• InChI: InChI=1S/C22H20N2O5/c1-13-11-16-18(21(25)24(13)12-15-9-6-10-28-15)17(14-7-4-3-5-8-14)19(20(23)29-16)22(26)27-2/h3-11,17H,12,23H2,1-2H3
• InChIKey: JHCDQCUYZYDOGB-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164266613
• PubChem CID: 4545179

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.19448
• LogD (pH = 7.4): 2.195699
• Log P: 2.1957145
• 摩尔折射率: 118.0756 cm^3
• 极化性: 40.52482 Å^3
• 极化表面积: 95.0 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