1-{5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-{5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}ethanone
• 英文别名: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
• 化学式: C₁₆H₁₄FN₅O
• 分子量: 311.31
• InChiKey: FECRGQMUXALBTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.7
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN<br/>[FR] COMPOSÉS AROMATIQUES MULTISUBSTITUÉS UTILISÉS COMME INHIBITEURS DE LA THROMBINE
  申请人：VERSEON INC

  公开号：WO2011126903A2

  公开（公告）日：2011-10-13

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin, which compounds include substituted pyrazolyl or substituted triazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing a disease or disorder, which disease or disorder is amenable to treatment or prevention by the inhibition of thrombin.