5-(3-hydroxyphenyl)-4-(3-iodophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | 1426945-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3-hydroxyphenyl)-4-(3-iodophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS: 1426945-63-2
• 化学式: C₁₄H₁₀IN₃OS
• 分子量: 395.223
• InChiKey: YRQCWKYSEWLVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.84
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 5-(3-hydroxyphenyl)-4-(3-iodophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 、 环丙沙星 以 乙醇 为溶剂， 反应 12.0h， 以67%的产率得到1-Cyclopropyl-6-fluoro-7-[4-{[3-(3-hydroxyphenyl)-4-(3-iodophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and in vitro activity of 1,2,4-triazole-ciprofloxacin hybrids against drug-susceptible and drug-resistant bacteria

  摘要：

  A series of novel 1,2,4-triazole-ciprofloxacin hybrids was designed, synthesised and evaluated in vitro against drug-susceptible and drug-resistant bacteria. A significant part of the compounds obtained showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram-positive and Gram-negative species. Despite relatively small number of synthesised derivatives, it was possible to observe important dependences between their structure and activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.040
• 作为产物：
  描述：

  3-羟基苯酰肼 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.08h， 生成 5-(3-hydroxyphenyl)-4-(3-iodophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Synthesis and in vitro activity of 1,2,4-triazole-ciprofloxacin hybrids against drug-susceptible and drug-resistant bacteria

  摘要：

  A series of novel 1,2,4-triazole-ciprofloxacin hybrids was designed, synthesised and evaluated in vitro against drug-susceptible and drug-resistant bacteria. A significant part of the compounds obtained showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram-positive and Gram-negative species. Despite relatively small number of synthesised derivatives, it was possible to observe important dependences between their structure and activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.040