N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 216878
• 分子式: C25H32N2O4
• 平均质量: 424.53258
• 单一同位素质量: 424.23620751
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NC1CC(NC(C1)(C)C)(C)C)C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C25H32N2O4/c1-13-8-18-21(22-20(13)14(2)12-30-22)15(3)17(23(29)31-18)9-19(28)26-16-10-24(4,5)27-25(6,7)11-16/h8,12,16,27H,9-11H2,1-7H3,(H,26,28)
• InChIKey: VRDGNIBEZYQITM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164272788
• PubChem CID: 4869895

理论计算性质

• Acid pKa: 14.685165
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.011076717
• LogD (pH = 7.4): 0.4474908
• Log P: 3.2433927
• 摩尔折射率: 120.3669 cm^3
• 极化性: 47.70834 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