N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidine-carboxamide | 1380421-72-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidine-carboxamide
• 英文别名: 2-(4-chlorophenyl)-N-[3-(6-nitroindazol-1-yl)propyl]-4-oxo-1,3-thiazolidine-3-carboxamide
• CAS: 1380421-72-6
• 化学式: C₂₀H₁₈ClN₅O₄S
• 分子量: 459.913
• InChiKey: YMNJLQKXJKDTMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  110.37
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidine-carboxamide 、 4-氯苯甲醛 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 6.3h， 以64%的产率得到N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-chlorophenyl)-4-oxo-5-(4-chloro benzylidene)-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：

  N1-(3-chloropropyl)-6-nitroindazole 在 溶剂黄146 、 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 15.9h， 生成 N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-chlorophenyl)-4-oxo-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