2-{4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 217030
• 分子式: C26H36N2O4
• 平均质量: 440.57504
• 单一同位素质量: 440.26750764
• SMILES: c1(c(c(=O)oc2c1c(OCC(=C)C)cc(c2)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CC(=C)COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H36N2O4/c1-15(2)14-31-20-9-16(3)10-21-23(20)17(4)19(24(30)32-21)11-22(29)27-18-12-25(5,6)28-26(7,8)13-18/h9-10,18,28H,1,11-14H2,2-8H3,(H,27,29)
• InChIKey: IPSYYNIGRHKMRY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: 2-{4,7-dimethyl-5-[(2-methylprop-2-en-1-yl)oxy]-2-oxochromen-3-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

登记号

• PubChem SID: 164272940
• PubChem CID: 16407170

理论计算性质

• Acid pKa: 14.688585
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.15547176
• LogD (pH = 7.4): 0.59188586
• Log P: 3.3877878
• 摩尔折射率: 126.3925 cm^3
• 极化性: 49.36871 Å^3
• 极化表面积: 76.66 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