1-[5-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

• 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: 1-[5-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
• 化学式: C₂₄H₂₆ClF₂N₉O
• 分子量: 529.98
• InChiKey: PVCJLBYSYBUASC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,3-二氟苯 在 sodium hydroxide 、 三氯化铝 、 sodium hydride 、 碳酸氢钠 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 19.5h， 生成 1-[5-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
  参考文献：
  名称：

  Synthesis of novel substituted tetrazoles having antifungal activity

  摘要：

  In an effort to find potent antifungal agents, a variety of triazole derivatives with a 5-substituted tetrazole structure 6, 7, 12 and 14 were prepared and evaluated for antifungal activity against Candida spp., Cryptococcus neoformans, and Aspergilhis spp. in vitro. The location of the methyl group at the C-3 of compounds 12 and 14 has been demonstrated to be a key structural element of antifungal potency. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.03.004

文献信息

• Synthesis of novel substituted tetrazoles having antifungal activity
  作者：Ram Shankar Upadhayaya、Sanjay Jain、Neelima Sinha、Nawal Kishore、Ramesh Chandra、Sudershan K Arora

  DOI：10.1016/j.ejmech.2004.03.004

  日期：2004.7

  In an effort to find potent antifungal agents, a variety of triazole derivatives with a 5-substituted tetrazole structure 6, 7, 12 and 14 were prepared and evaluated for antifungal activity against Candida spp., Cryptococcus neoformans, and Aspergilhis spp. in vitro. The location of the methyl group at the C-3 of compounds 12 and 14 has been demonstrated to be a key structural element of antifungal potency. (C) 2004 Elsevier SAS. All rights reserved.