5-[[2-(2,4-Dinitrophenyl)sulfanyl-5-nitrobenzimidazol-1-yl]methyl]-3-(4-fluorophenyl)-1,2-oxazole | 1424375-54-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-[[2-(2,4-Dinitrophenyl)sulfanyl-5-nitrobenzimidazol-1-yl]methyl]-3-(4-fluorophenyl)-1,2-oxazole
• 英文别名: 5-[[2-(2,4-dinitrophenyl)sulfanyl-5-nitrobenzimidazol-1-yl]methyl]-3-(4-fluorophenyl)-1,2-oxazole
• CAS: 1424375-54-1
• 化学式: C₂₃H₁₃FN₆O₇S
• 分子量: 536.457
• InChiKey: ZFVLYIJGNVNNOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  207
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-((2,4-dinitrophenyl)sulphanyl)-5-nitrobenzimidazole 在 potassium carbonate 、 三乙胺 、 1,3-二-叔丁基咪唑氯化物 作用下， 以 二氯甲烷 、 丙酮 、 甲苯 为溶剂， 反应 5.53h， 生成 5-[[2-(2,4-Dinitrophenyl)sulfanyl-5-nitrobenzimidazol-1-yl]methyl]-3-(4-fluorophenyl)-1,2-oxazole
  参考文献：
  名称：

  Regioselective synthesis of isoxazole–mercaptobenzimidazole hybrids and their in vivo analgesic and anti-inflammatory activity studies

  摘要：

  Regioselective synthesis of isoxazole-mercaptobenzimidazole hybrids and their efficiency in in vivo analgesic and anti-inflammatory activity was described. A comparison of structure-activity relationship for there compounds was also emphasized. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.101

文献信息

• Regioselective synthesis of isoxazole–mercaptobenzimidazole hybrids and their in vivo analgesic and anti-inflammatory activity studies
  作者：Shravankumar Kankala、Ranjith Kumar Kankala、Prasad Gundepaka、Niranjan Thota、Srinivas Nerella、Mohan Rao Gangula、Hanmanthu Guguloth、Mukkanti Kagga、Ravinder Vadde、Chandra Sekhar Vasam

  DOI：10.1016/j.bmcl.2012.12.101

  日期：2013.3

  Regioselective synthesis of isoxazole-mercaptobenzimidazole hybrids and their efficiency in in vivo analgesic and anti-inflammatory activity was described. A comparison of structure-activity relationship for there compounds was also emphasized. (c) 2013 Elsevier Ltd. All rights reserved.