2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-(propan-2-yl)acetamide

• ChemBase编号: 213761
• 分子式: C24H23NO4
• 平均质量: 389.44372
• 单一同位素质量: 389.16270822
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC(C)C)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1)C
• InChI: InChI=1S/C24H23NO4/c1-13(2)25-21(26)11-18-14(3)17-10-19-20(16-8-6-5-7-9-16)12-28-22(19)15(4)23(17)29-24(18)27/h5-10,12-13H,11H2,1-4H3,(H,25,26)
• InChIKey: LWRGLXHYINGTAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}-N-(propan-2-yl)acetamide
• IUPAC传统名: 2-{5,9-dimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}-N-isopropylacetamide

登记号

• PubChem SID: 164269671
• PubChem CID: 4868889

理论计算性质

• Acid pKa: 14.729405
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.1125183
• LogD (pH = 7.4): 4.1125183
• Log P: 4.1125183
• 摩尔折射率: 111.3589 cm^3
• 极化性: 45.078762 Å^3
• 极化表面积: 68.54 Å^2
• 可自由旋转的化学键: 4
• 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