2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide

• ChemBase编号: 197860
• 分子式: C23H18N2O6S
• 平均质量: 450.46382
• 单一同位素质量: 450.08855731
• SMILES: S(=O)(=O)(c1ccc(NC(=O)COc2cc3c(c(cc(=O)o3)c3ccccc3)cc2)cc1)N
• Canonical SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H18N2O6S/c24-32(28,29)18-9-6-16(7-10-18)25-22(26)14-30-17-8-11-19-20(15-4-2-1-3-5-15)13-23(27)31-21(19)12-17/h1-13H,14H2,(H,25,26)(H2,24,28,29)
• InChIKey: SJUQGGGOOUHTAD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
• IUPAC传统名: 2-[(2-oxo-4-phenylchromen-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide

登记号

• PubChem SID: 164253770
• PubChem CID: 1801768

理论计算性质

• Acid pKa: 10.261734
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.5771961
• LogD (pH = 7.4): 2.5766737
• Log P: 2.5772028
• 摩尔折射率: 128.0843 cm^3
• 极化性: 45.73721 Å^3
• 极化表面积: 124.79 Å^2
• 可自由旋转的化学键: 6
• 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