N-{5-[(1-hydroxy(2-naphthyl))methylene]-2-(4-hydroxyphenyl)-4-oxo-(1,3-thiazolidin-3-yl)}{4-[2-(4-methylphenyl)-4-oxo-(3-hydroquinazolin-3-yl)] phenyl}carboxamide | 1316838-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-{5-[(1-hydroxy(2-naphthyl))methylene]-2-(4-hydroxyphenyl)-4-oxo-(1,3-thiazolidin-3-yl)}{4-[2-(4-methylphenyl)-4-oxo-(3-hydroquinazolin-3-yl)] phenyl}carboxamide
• 英文别名: N-[5-[(1-hydroxynaphthalen-2-yl)methylidene]-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
• CAS: 1316838-91-1
• 化学式: C₄₂H₃₀N₄O₅S
• 分子量: 702.79
• InChiKey: IYPDWGMLKGVZCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.89
• 重原子数：
  52.0
• 可旋转键数：
  6.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  124.76
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  N-amino{4-[2-(4-methylphenyl)-4-oxo-(3-hydroquinazolin-3-yl)]phenyl}carboxamide 在 sodium methylate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 19.0h， 生成 N-{5-[(1-hydroxy(2-naphthyl))methylene]-2-(4-hydroxyphenyl)-4-oxo-(1,3-thiazolidin-3-yl)}{4-[2-(4-methylphenyl)-4-oxo-(3-hydroquinazolin-3-yl)] phenyl}carboxamide
  参考文献：
  名称：

  A clubbed quinazolinone and 4-thiazolidinone as potential antimicrobial agents

  摘要：

  A series of N-{5-[(2-chlorophenyl)methylene]-2-(4-hydroxyphenyl]-4-oxo(1,3-thiazolidin-3-yl)}{4-[2-(4-methylphenyl)-4-oxo(3-hydroquinazolin-3-yl)]phenyl}carboxamides (6a-n) have been synthesized. All the synthesized compounds were screened for in vitro antibacterial and antifungal activities on Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, Staphylococcus pyogenes, Candida albicans, Aspergillus niger, and Aspergillus clavatus. The structures of the compounds were elucidated by IR, H-1 NMR, C-13 NMR, and Mass spectra.

  DOI：

  10.1007/s00044-011-9674-5