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

• ChemBase编号: 197963
• 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(c2)c(co1)C)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)occ1C
• InChI: InChI=1S/C25H32N2O4/c1-14-13-30-20-10-21-19(9-18(14)20)15(2)17(23(29)31-21)7-8-22(28)26-16-11-24(3,4)27-25(5,6)12-16/h9-10,13,16,27H,7-8,11-12H2,1-6H3,(H,26,28)
• InChIKey: AMWJMQAAENXRMS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164253873
• PubChem CID: 1752081

理论计算性质

• Acid pKa: 15.307114
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.057778284
• LogD (pH = 7.4): 0.37863806
• Log P: 3.17454
• 摩尔折射率: 119.9267 cm^3
• 极化性: 47.784073 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: Derivatives & analogs of Natural Compounds