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

• ChemBase编号: 198056
• 分子式: C26H34N2O4
• 平均质量: 438.55916
• 单一同位素质量: 438.25185758
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(NC1CC(C)(C)NC(C1)(C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C26H34N2O4/c1-14-16(3)31-21-11-22-20(10-19(14)21)15(2)18(24(30)32-22)8-9-23(29)27-17-12-25(4,5)28-26(6,7)13-17/h10-11,17,28H,8-9,12-13H2,1-7H3,(H,27,29)
• InChIKey: DUIJNFJPDXDJTA-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164253966
• PubChem CID: 1752331

理论计算性质

• Acid pKa: 15.316631
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.14178303
• LogD (pH = 7.4): 0.5781994
• Log P: 3.3741014
• 摩尔折射率: 125.0764 cm^3
• 极化性: 49.548077 Å^3
• 极化表面积: 80.57 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds