N-(2-oxo-2H-chromen-6-yl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 219015
• 分子式: C26H21NO6
• 平均质量: 443.44804
• 单一同位素质量: 443.1368874
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1cc2c(oc(=O)cc2)cc1)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C26H21NO6/c1-12-9-20-24(25-23(12)13(2)15(4)31-25)14(3)18(26(30)33-20)11-21(28)27-17-6-7-19-16(10-17)5-8-22(29)32-19/h5-10H,11H2,1-4H3,(H,27,28)
• InChIKey: LKZUVSAMSVCUGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-oxo-2H-chromen-6-yl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-(2-oxochromen-6-yl)-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164274925
• PubChem CID: 16408942

理论计算性质

• Acid pKa: 10.85783
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.232573
• LogD (pH = 7.4): 4.232424
• Log P: 4.232575
• 摩尔折射率: 124.2952 cm^3
• 极化性: 47.05308 Å^3
• 极化表面积: 94.84 Å^2
• 可自由旋转的化学键: 3
• 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