7-[(4-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 7-[(4-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
• 英文别名: 7-[(4-chlorophenoxy)methyl]-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
• 化学式: C₁₇H₁₁ClN₄O₂S
• 分子量: 370.819
• InChiKey: DDKCLOMCVBAOSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  91.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对氯苯氧乙酸 、 4-Amino-3-mercapto-6-phenyl-1,2,4-triazin-5(4H)-one 在 三氯氧磷 作用下， 反应 5.0h， 以96%的产率得到7-[(4-chlorophenoxy)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
  参考文献：
  名称：

  Synthesis of some new biologically active thiadiazolotriazinones—Part II

  摘要：

  4-Amino-6-phenyl/methyl-3-mercapto-1,2,4-triazin-5(4H)-ones (1) are condensed with an aromatic carboxylic acid, aryloxy-acetic acid or anilinoacetic acid (2), to yield 7-substituted-3-phenyl/methyl-4H- 1,3,4-thiadiazolo-[2,3-c]-1,2,4-triazin-4-ones (3). Phosphorus oxychloride is used as a cyclizing agent. All the synthesized compounds are screened for their antibacterial activities against S. aureus, E. coli, P. aeruginosa and G. bacillus. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00008-7

文献信息

• Synthesis of some new biologically active thiadiazolotriazinones—Part II
  作者：B.Shivarama Holla、B.K. Sarojini、K. Shridhara、Georgy Antony

  DOI：10.1016/s0014-827x(99)00008-7

  日期：1999.3

  4-Amino-6-phenyl/methyl-3-mercapto-1,2,4-triazin-5(4H)-ones (1) are condensed with an aromatic carboxylic acid, aryloxy-acetic acid or anilinoacetic acid (2), to yield 7-substituted-3-phenyl/methyl-4H- 1,3,4-thiadiazolo-[2,3-c]-1,2,4-triazin-4-ones (3). Phosphorus oxychloride is used as a cyclizing agent. All the synthesized compounds are screened for their antibacterial activities against S. aureus, E. coli, P. aeruginosa and G. bacillus. (C) 1999 Elsevier Science S.A. All rights reserved.