6-(2,4-dichlorophenyl)-3-(tricyclo[3.3.1.1^3,7]decan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(2,4-dichlorophenyl)-3-(tricyclo[3.3.1.1^3,7]decan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• 英文别名: 6-(2,4-Dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole；3-(1-adamantyl)-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
• 化学式: C₁₉H₁₈Cl₂N₄S
• 分子量: 405.351
• InChiKey: MCEMFZUXQOQSFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二氯苯甲酰氯 、 4-amino-3-mercapto-5-[1-(tricyclo[3.3.1.1^3,7]decane)]-4(H)-1,2,4-triazole 在 三氯氧磷 作用下， 以75%的产率得到6-(2,4-dichlorophenyl)-3-(tricyclo[3.3.1.1^3,7]decan-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  参考文献：
  名称：

  Synthesis and antiviral activity evaluation of some new 6-substituted 3-(1-adamantyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles

  摘要：

  A number of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole derivatives, containing the adamantyl moiety, were synthesized and examined in various viral test systems. No antiviral effects were noted with any of the compounds at subtoxic concentrations in cell culture. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0014-827x(01)01189-2

文献信息

• Synthesis and antiviral activity evaluation of some new 6-substituted 3-(1-adamantyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles
  作者：Marina Kritsanida、Anastasia Mouroutsou、Panagiotis Marakos、Nicole Pouli、Spyroula Papakonstantinou-Garoufalias、Christophe Pannecouque、Myriam Witvrouw、Erik De Clercq

  DOI：10.1016/s0014-827x(01)01189-2

  日期：2002.3

  A number of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole derivatives, containing the adamantyl moiety, were synthesized and examined in various viral test systems. No antiviral effects were noted with any of the compounds at subtoxic concentrations in cell culture. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.