2-(4-((4-nitrophenyl)amino)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)hydrazinecarbothioamide | 1423168-14-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-((4-nitrophenyl)amino)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)hydrazinecarbothioamide
• CAS: 1423168-14-2
• 化学式: C₁₄H₁₈N₁₀O₂S
• 分子量: 390.429
• InChiKey: VRQHQVARQQVGDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  159.19
• 氢给体数：
  5.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  7-氯-4-异硫代氰酰基喹啉 、 2-(4-((4-nitrophenyl)amino)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)hydrazinecarbothioamide 以 丙酮 为溶剂， 以64.16%的产率得到4-(4-(2-Carbamothioylhydrazinyl)-6-((4-nitrophenyl)amino)-1,3,5-triazin-2-yl)-N-(7-chloroquinolin-4-yl)piperazine-1-carbothioamide
  参考文献：
  名称：

  Development of 4-aminoquinoline-1,3,5-triazine conjugates as potent antibacterial agent through facile synthetic route

  摘要：

  A series of novel hybrid 4-aminoquinoline-1,3,5-triazine derivatives were developed and subsequently tested against representative Gram-positive and Gram-negative microorganisms for determination of their antibacterial activity. Screening results indicate that, title molecule exhibit moderate to potent activity in comparison to standard. These hybrid derivatives were synthesized through a facile synthetic routes and structure of reaction intermediates as well as target molecules were recognised with the aid of various spectroscopic techniques viz., FTIR, NMR, mass and elemental analysis.

  DOI：

  10.1007/s00044-013-0521-8
• 作为产物：
  描述：

  4-硝基苯胺 在 碳酸氢钠 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 5.0h， 生成 2-(4-((4-nitrophenyl)amino)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)hydrazinecarbothioamide
  参考文献：
  名称：

  Development of 4-aminoquinoline-1,3,5-triazine conjugates as potent antibacterial agent through facile synthetic route

  摘要：

  A series of novel hybrid 4-aminoquinoline-1,3,5-triazine derivatives were developed and subsequently tested against representative Gram-positive and Gram-negative microorganisms for determination of their antibacterial activity. Screening results indicate that, title molecule exhibit moderate to potent activity in comparison to standard. These hybrid derivatives were synthesized through a facile synthetic routes and structure of reaction intermediates as well as target molecules were recognised with the aid of various spectroscopic techniques viz., FTIR, NMR, mass and elemental analysis.

  DOI：

  10.1007/s00044-013-0521-8