ethyl 4-oxo-3-(2-oxo-1,2-dihydroquinolin-3-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226751
• 分子式: C23H17NO6
• 平均质量: 403.38418
• 单一同位素质量: 403.10558727
• SMILES: c12c(OC(C1c1c(=O)[nH]c3c(c1)cccc3)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc3ccccc3[nH]c1=O)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H17NO6/c1-2-28-23(27)20-17(14-11-12-7-3-5-9-15(12)24-21(14)25)18-19(30-20)13-8-4-6-10-16(13)29-22(18)26/h3-11,17,20H,2H2,1H3,(H,24,25)
• InChIKey: TZGXCSXIGQOZOY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-oxo-3-(2-oxo-1,2-dihydroquinolin-3-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 4-oxo-3-(2-oxo-1H-quinolin-3-yl)-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164282661
• PubChem CID: 71753904

理论计算性质

• Acid pKa: -15.748272
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.0153284175
• LogD (pH = 7.4): -0.015103832
• Log P: -2.1835515
• 摩尔折射率: 109.2689 cm^3
• 极化性: 41.074368 Å^3
• 极化表面积: 90.93 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