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

• ChemBase编号: 214543
• 分子式: C22H25NO4
• 平均质量: 367.4382
• 单一同位素质量: 367.17835829
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NC1CCCCC1)C)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)NC1CCCCC1
• InChI: InChI=1S/C22H25NO4/c1-12-9-17-20(21-19(12)13(2)11-26-21)14(3)16(22(25)27-17)10-18(24)23-15-7-5-4-6-8-15/h9,11,15H,4-8,10H2,1-3H3,(H,23,24)
• InChIKey: UXMBEKFGZYFISN-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164270453
• PubChem CID: 4967800

理论计算性质

• Acid pKa: 14.656135
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.0046015
• LogD (pH = 7.4): 4.004602
• Log P: 4.004602
• 摩尔折射率: 103.1107 cm^3
• 极化性: 40.654526 Å^3
• 极化表面积: 68.54 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