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

• ChemBase编号: 193634
• 分子式: C26H27N3O7
• 平均质量: 493.50848
• 单一同位素质量: 493.18490022
• SMILES: c12c(=O)n(c(cc1OC(=C(C2c1cc(c(c(c1)OC)OC)OC)C(=O)OC)N)C)Cc1cnccc1
• Canonical SMILES: COC(=O)C1=C(N)Oc2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)n(c(c2)C)Cc1cccnc1
• InChI: InChI=1S/C26H27N3O7/c1-14-9-17-21(25(30)29(14)13-15-7-6-8-28-12-15)20(22(24(27)36-17)26(31)35-5)16-10-18(32-2)23(34-4)19(11-16)33-3/h6-12,20H,13,27H2,1-5H3
• InChIKey: GIWFSOJYVDLDHL-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164249544
• PubChem CID: 4435523

理论计算性质

• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 1.3716769
• LogD (pH = 7.4): 1.4437628
• Log P: 1.4447817
• 摩尔折射率: 142.9174 cm^3
• 极化性: 50.34709 Å^3
• 极化表面积: 122.44 Å^2
• 可自由旋转的化学键: 8
• 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