4,5-Diphenyl-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4,5-Diphenyl-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: 4,5-Diphenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
• 化学式: C₂₄H₂₄N₆S
• 分子量: 428.561
• InChiKey: VTUVEVBVDWBWAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  70.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-苯甲酰-4-苯基-3-硫代氨基脲 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 生成 4,5-Diphenyl-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones

  摘要：

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.

  DOI：

  10.1080/104265090517280

文献信息

• Synthesis and Tuberculostatic Activity of Some 2-Piperazinmethylene Derivatives 1,2,4-Triazole-3-Thiones
  作者：Henryk Foks、Mieczyslaw Janowiec、Zofia Zwolska、Ewa Augustynowicz-Kopeć

  DOI：10.1080/104265090517280

  日期：2005.2

  The Mannich. reaction's products of 1,2,4-triazole-3-thiones, substituted in position 4 (with ethyl, allyl, phenyl, Ph-4-Br) or 5 (with phenyl, Ph-4-OH, Ph-3,4,5-(OMe)(3), 2-phenyl) were obtained. Their amino-components were 1-phenylpiperazine, 1-(4-fluorophenyl)-piperazine, 1-benzylpiperazine, 1-(2-pyridyl)-piperazine and 1-piperonyl-piperazine. Tuberculostatic activity of the compounds obtained was tested in vitro and their MIC values within 25-100 mcg/mL.