2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 211848
• 分子式: C26H34N2O4
• 平均质量: 438.55916
• 单一同位素质量: 438.25185758
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC(NC(C1)(C)C)(C)C)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H34N2O4/c1-13-16(4)31-22-15(3)23-19(9-18(13)22)14(2)20(24(30)32-23)10-21(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29)
• InChIKey: UCPJIFLMFHPIQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: 2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

登记号

• PubChem SID: 164267758
• PubChem CID: 4839247

理论计算性质

• Acid pKa: 14.749159
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.21063803
• LogD (pH = 7.4): 0.64705217
• Log P: 3.442954
• 摩尔折射率: 125.5166 cm^3
• 极化性: 49.471622 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