N-(2,6-dichlorophenyl)-2-[[4-(2-morpholin-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2,6-dichlorophenyl)-2-[[4-(2-morpholin-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• 化学式: C₂₂H₂₃Cl₂N₅O₂S
• 分子量: 492.429
• InChiKey: KERYEERDDKKUHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  97.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-n-(2,6-二氯苯基)乙酰胺 、 4-[2-(4-morpholinyl)ethyl]-5-phenyl-4H-1,2,4-triazole-3-thiol 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 192.0h， 以20%的产率得到N-(2,6-dichlorophenyl)-2-[[4-(2-morpholin-4-ylethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of 2-(4,5-Disubstituted-[1,2,4] triazol-3-ylsulphanyl)-N-phenyl-acetamides

  摘要：

  The activity of the SH group of the new 4,5-disubstituted 1,2,4-triazol-3-thiole derivatives obtained earlier(1) was used in the reactions with 2-chloro-N-phenylacetamides. The structures of the products obtained were determined by means of H-1 NMR spectroscopy and X-ray diffraction. Tuberculostatic activity of the starting triazolothioles and of their S-substituted derivatives was tested in vitro, and the minimum growth inhibiting concentration values obtained were within 12.5-100 mu g/mL.

  DOI：

  10.1080/10426500601160736