2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 196077
• 分子式: C26H30N2O4
• 平均质量: 434.5274
• 单一同位素质量: 434.22055745
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NC1CC(NC(C1)(C)C)(C)C)cc2)c1ccccc1
• Canonical SMILES: O=C(NC1CC(C)(C)NC(C1)(C)C)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C26H30N2O4/c1-25(2)14-18(15-26(3,4)28-25)27-23(29)16-31-19-10-11-20-21(17-8-6-5-7-9-17)13-24(30)32-22(20)12-19/h5-13,18,28H,14-16H2,1-4H3,(H,27,29)
• InChIKey: VJKDHMJNMQQWTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

登记号

• PubChem SID: 164251987
• PubChem CID: 3487760

理论计算性质

• Acid pKa: 14.748445
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.24065065
• LogD (pH = 7.4): 0.19576499
• Log P: 2.9916654
• 摩尔折射率: 132.6384 cm^3
• 极化性: 48.221188 Å^3
• 极化表面积: 76.66 Å^2
• 可自由旋转的化学键: 5
• 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