2-(4-chlorophenyl)-3-[4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoyl]-1,3,4-thiadiazolium-5-thiolate | 1309781-48-3

• 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: 2-(4-chlorophenyl)-3-[4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoyl]-1,3,4-thiadiazolium-5-thiolate
• 英文别名: 5-(4-Chlorophenyl)-4-[4-(4-oxo-2-phenylquinazolin-3-yl)benzoyl]-1,3,4-thiadiazol-4-ium-2-thiolate；5-(4-chlorophenyl)-4-[4-(4-oxo-2-phenylquinazolin-3-yl)benzoyl]-1,3,4-thiadiazol-4-ium-2-thiolate
• CAS: 1309781-48-3
• 化学式: C₂₉H₁₇ClN₄O₂S₂
• 分子量: 553.065
• InChiKey: KKVVNLPSCDATSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-phenyl-3-(4-benzoyl hydrazide)-1,3-quinazolin-4(4H)-one 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 2-(4-chlorophenyl)-3-[4-(4-oxo-2-phenylquinazolin-3(4H)-yl)benzoyl]-1,3,4-thiadiazolium-5-thiolate
  参考文献：
  名称：

  Synthesis, characterization, and antimicrobial studies of novel 1,3,4-thiadiazolium-5-thiolates

  摘要：

  Sixteen novel thiadiazolium derivatives 6(a-h) and 12(a-h) were synthesized by conventional route starting from anthranilic acid using different acid chloride derivatives. The structure of all the newly synthesized compounds was established by IR, NMR, mass spectroscopy, and elemental analysis. The compounds were also screened for their antibacterial activity against some important bacterial species. Some of the compounds were found excellent active against these species.

  DOI：

  10.1007/s00044-011-9632-2

文献信息

• Synthesis, characterization, and antimicrobial studies of novel 1,3,4-thiadiazolium-5-thiolates
  作者：Shahrukh T. Asundaria、Nikul S. Patel、Keshav C. Patel

  DOI：10.1007/s00044-011-9632-2

  日期：2012.7

  Sixteen novel thiadiazolium derivatives 6(a-h) and 12(a-h) were synthesized by conventional route starting from anthranilic acid using different acid chloride derivatives. The structure of all the newly synthesized compounds was established by IR, NMR, mass spectroscopy, and elemental analysis. The compounds were also screened for their antibacterial activity against some important bacterial species. Some of the compounds were found excellent active against these species.