N-[4-cyano-3-(trifluoromethyl)phenyl]-N'-[(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)methyl]urea | 1206686-61-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[4-cyano-3-(trifluoromethyl)phenyl]-N'-[(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)methyl]urea
• 英文别名: 1-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]urea
• CAS: 1206686-61-4
• 化学式: C₂₈H₂₆F₆N₆O
• 分子量: 576.544
• InChiKey: ZIYUPTAQMRNFJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  41
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• [EN] SEH AND 11ß-HSD1 DUAL INHIBITORS<br/>[FR] INHIBITEURS DOUBLES DE SEH ET 11?-HSD1
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010011917A1

  公开（公告）日：2010-01-28

  The invention is directed to bicycle[2.2.2]oct-1-yl compounds, pharmaceutical compositions containing them and their use in the treatment of a variety of conditions mediated by the sEH enzyme and/or the 11β-HSD1 enzyme.