3-[2-(N-Acetylamino)ethylthiomethyl]-5-(3-fluoro-4-phenyl-α-methylbenzyl)-1,2,4-oxadiazole | 110127-19-0

• 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: 3-[2-(N-Acetylamino)ethylthiomethyl]-5-(3-fluoro-4-phenyl-α-methylbenzyl)-1,2,4-oxadiazole
• 英文别名: N-[2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethyl]acetamide
• CAS: 110127-19-0
• 化学式: C₂₁H₂₂FN₃O₂S
• 分子量: 399.489
• InChiKey: WDKBSOVPUCDDTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93.3
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 5-Substituted 1,2,4-oxadiazole derivatives, their preparation and pharmaceutical compositions containing them
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0091726A2

  公开（公告）日：1983-10-19

  5-Substituted 1,2,4-oxadiazoles of the formula where R is one of a specific range of aromatic groups, T is optionally substituted lower alkylene or lower alkenylene, and U is an optionally present one of a specific range of aliphatic and aromatic groups, are useful as pharmaceuticals such as anti-inflammatory and analgesic agents. They may be prepared by synthetic routes analogous to those described in the literature for preparing known compounds.

  5-取代的 1,2,4-噁二唑（式中 R 是特定范围的芳香基团之一，T 是任选取代的低级亚烷基或低级烯基，U 是任选存在的特定范围的脂肪族和芳香基团之一）可用作药物，如消炎药和镇痛药。 它们可以通过类似于文献中所述的制备已知化合物的合成路线来制备。
• US4618617A
  申请人：——

  公开号：US4618617A

  公开（公告）日：1986-10-21