4-chloro-N-[[3-[2-[6-[(4-chloroanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-chloro-N-[[3-[2-[6-[(4-chloroanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
• 化学式: C₂₂H₁₈Cl₂N₁₀S₂
• 分子量: 557.49
• InChiKey: IISZHDYBIYYHFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  167
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-[(4-氯苯基)氨基]乙酸 、 1,2-bis(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)ethane 在 三氯氧磷 作用下， 反应 2.0h， 以74%的产率得到4-chloro-N-[[3-[2-[6-[(4-chloroanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
  参考文献：
  名称：

  Studies on some N-bridged heterocycles derived from bis-[4-amino-5-mercapto-1,2,4-triazol-3-yl] alkanes

  摘要：

  A series of bis-[4-amino-5-mercapto-1,2,4-triazol-3-yl] alkanes have been synthesized and were converted into bis-[1,2,4-triazolo[3,4-b]-1,3,4-thiadiazol-4-yl] alkanes. The newly synthesized compounds were characterized by analytical IR, NMR and mass spectral studies. Some of the newly synthesized compounds were screened for their antibacterial properties and exhibited activity with MIC in the range 3-12.5 micrograms/ml.

  DOI：

  10.1016/s0014-827x(98)00068-8