4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide

• 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: 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
• 化学式: C₂₂H₂₆FN₃O₃S
• 分子量: 431.531
• InChiKey: JFQKMNMVYDRZMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-正丁氧基苯磺酰氯 、 4-氟苯乙胺 、 4-咪唑甲醛 生成 4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
  参考文献：
  名称：

  Novel antifungals based on 4-substituted imidazole: A combinatorial chemistry approach to lead discovery and optimization

  摘要：

  A series of 4-substituted imidazole sulfonamides has been prepared by solid-phase chemistry. These compounds were found to have good in vitro antifungal activity and constitute the first examples of C-linked azoles with such activity. The most potent inhibitor (30) demonstrated inhibition of key Candida strains at an in vitro concentration of < 100 nM and compared favorably with in vitro potency of itraconazole. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00445-5