N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(2-chlorophenyl)-methylidene]-urea | 1360889-29-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(2-chlorophenyl)-methylidene]-urea
• 英文别名: N1-{3-(2-chlorobenzylideniminocarbamyl)propyl}-6-nitroindazole
• CAS: 1360889-29-7
• 化学式: C₁₈H₁₆ClN₅O₃
• 分子量: 385.81
• InChiKey: NUNGXTDBJGYTFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 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：
  0.17
• 拓扑面积：
  102.42
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(2-chlorophenyl)-methylidene]-urea 在 sodium ethanolate 、 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 13.6h， 生成 N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(2-chlorophenyl)-4-oxo-5-(2-chlorobenzylidene)-1,3-thiazolidine-carboxamide
  参考文献：
  名称：

  SYNTHESIS OF 4-THIAZOLIDINE DERIVATIVES OF 6-NITROINDAZOLE: PHARMACEUTICAL IMPORTANCE

  摘要：

  New series of N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(substituted phenyl)-4-oxo-5-(substituted benzylidene)-1,3-thiazolidine-carboxamide, compounds 5(a-j) have been synthesized from 6-nitroindazole. Structures of all the synthesized compounds were confirmed by chemical and spectral analyses such as IR, H-1 NMR, C-13 NMR and FAB-Mass. All the synthesized compounds were screened for their antibacterial, antifungal, antitubercular and antiinflammatory activities.

  DOI：

  10.4067/s0717-97072012000100018
• 作为产物：
  描述：

  6-硝基吲唑 以 甲醇 为溶剂， 反应 12.0h， 生成 N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(2-chlorophenyl)-methylidene]-urea
  参考文献：
  名称：

  Synthesis ofN1-3-{(4-Substituted aryl-3-chloro-2-oxo-azetidine)-iminocarbamyl}-propyl-6-nitroindazole Derivatives and Their Biological Significance

  摘要：

  AbstractSynthesis ofN1‐3‐{(4‐substitute daryl‐3‐chloro‐2‐oxo‐azetidine)‐iminocarbamyl}‐propyl‐6‐nitroindazole 4a–4s was conducted by a conventional method. All the compounds were synthesized and characterized by IR, 1H NMR, 13C NMR, FAB‐Mass techniques and chemical methods. All the final synthesized compounds were evaluated for their antimicrobial activity and antitubercular activity with MIC values against some selected microorganisms.

  DOI：

  10.1002/cjoc.201180311