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

• ChemBase编号: 211201
• 分子式: C25H32N2O4
• 平均质量: 424.53258
• 单一同位素质量: 424.23620751
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC(NC(C1)(C)C)(C)C)C)cc1c(c2C)occ1C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C25H32N2O4/c1-13-12-30-21-15(3)22-18(8-17(13)21)14(2)19(23(29)31-22)9-20(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: FCCMBPQHUNVGSY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164267111
• PubChem CID: 4837802

理论计算性质

• Acid pKa: 14.763602
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.011076718
• LogD (pH = 7.4): 0.4474908
• Log P: 3.2433927
• 摩尔折射率: 120.3669 cm^3
• 极化性: 47.707756 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: Rare Derivatives of Natural Compounds