N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide | 41377-50-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide
• 英文别名: 3-Nitrobenzoesaeure-5-bromsalicyliden-hydrazon；N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
• CAS: 41377-50-8
• 化学式: C₁₄H₁₀BrN₃O₄
• mdl: MFCD00567280
• 分子量: 364.155
• InChiKey: XCSKKESWMADMGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonate)oxovanadium 、 乙醇 、 乙酰氧肟酸 、 N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide 反应 0.5h， 以68%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and urease inhibition of a novel acetylhydroxamate-coordinated oxovanadium(V) complex with hydrazone ligand

  摘要：

  The first example of a novel acetylhydroxamate-coordinated oxovanadium(V) complex with hydrazone ligand has been prepared and structurally characterized. The urease inhibitory activity of the complex was assayed, and the molecular docking study was performed. The complex has strong urease inhibitory activity. The introduction of acetylhydroxamate ligand as functional urease inhibitory group may increase the activity of the complex. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.04.008
• 作为产物：
  描述：

  3-硝基苯酰肼 、 5-溴水杨醛 以 乙醇 为溶剂， 以91%的产率得到N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide
  参考文献：
  名称：

  Synthesis, characterization and urease inhibition of a novel acetylhydroxamate-coordinated oxovanadium(V) complex with hydrazone ligand

  摘要：

  The first example of a novel acetylhydroxamate-coordinated oxovanadium(V) complex with hydrazone ligand has been prepared and structurally characterized. The urease inhibitory activity of the complex was assayed, and the molecular docking study was performed. The complex has strong urease inhibitory activity. The introduction of acetylhydroxamate ligand as functional urease inhibitory group may increase the activity of the complex. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2014.04.008