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

• ChemBase编号: 213820
• 分子式: C26H34N2O4
• 平均质量: 438.55916
• 单一同位素质量: 438.25185758
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C26H34N2O4/c1-13-9-19-22(23-21(13)14(2)16(4)31-23)15(3)18(24(30)32-19)10-20(29)27-17-11-25(5,6)28-26(7,8)12-17/h9,17,28H,10-12H2,1-8H3,(H,27,29)
• InChIKey: XPKJELSMXXFKBS-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164269730
• PubChem CID: 4868974

理论计算性质

• Acid pKa: 14.693819
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.21063803
• LogD (pH = 7.4): 0.6470521
• Log P: 3.442954
• 摩尔折射率: 125.5166 cm^3
• 极化性: 49.472187 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