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

• ChemBase编号: 213277
• 分子式: C24H30N2O4
• 平均质量: 410.506
• 单一同位素质量: 410.22055745
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C24H30N2O4/c1-13-12-29-19-9-20-17(7-16(13)19)14(2)18(22(28)30-20)8-21(27)25-15-10-23(3,4)26-24(5,6)11-15/h7,9,12,15,26H,8,10-11H2,1-6H3,(H,25,27)
• InChIKey: FMOLNLJYJAPEDR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164269187
• PubChem CID: 4966948

理论计算性质

• Acid pKa: 14.748514
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.50234467
• LogD (pH = 7.4): -0.06593052
• Log P: 2.7299714
• 摩尔折射率: 115.3257 cm^3
• 极化性: 45.94123 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