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

• ChemBase编号: 210369
• 分子式: C23H22N2O6
• 平均质量: 422.43058
• 单一同位素质量: 422.14778643
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(OC)ccc1)C(=O)OC)N)C)Cc1occc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cccc(c1)OC)c(=O)n(c(c2)C)Cc1ccco1
• InChI: InChI=1S/C23H22N2O6/c1-13-10-17-19(22(26)25(13)12-16-8-5-9-30-16)18(14-6-4-7-15(11-14)28-2)20(21(24)31-17)23(27)29-3/h4-11,18H,12,24H2,1-3H3
• InChIKey: QAGSTWWQZBECMR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164266279
• PubChem CID: 3944225

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.0368087
• LogD (pH = 7.4): 2.0380278
• Log P: 2.0380433
• 摩尔折射率: 124.5388 cm^3
• 极化性: 43.06134 Å^3
• 极化表面积: 104.23 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