N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase编号: 212823
• 分子式: C25H32N2O4
• 平均质量: 424.53258
• 单一同位素质量: 424.23620751
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C25H32N2O4/c1-13-15(3)30-20-10-21-18(8-17(13)20)14(2)19(23(29)31-21)9-22(28)26-16-11-24(4,5)27-25(6,7)12-16/h8,10,16,27H,9,11-12H2,1-7H3,(H,26,28)
• InChIKey: OAVPZLNCWSMFLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC传统名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

登记号

• PubChem SID: 164268733
• PubChem CID: 4965984

理论计算性质

• Acid pKa: 14.732493
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.30278334
• LogD (pH = 7.4): 0.13363084
• Log P: 2.9295328
• 摩尔折射率: 120.4754 cm^3
• 极化性: 47.705082 Å^3
• 极化表面积: 80.57 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