N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[(2S)-2-methyl-3-(2,3,6-trifluorophenoxy)propoxy]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-7-[4-[(2S)-2-methyl-3-(2,3,6-trifluorophenoxy)propoxy]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
• 化学式: C₃₄H₃₄Cl₂F₃N₃O₃
• 分子量: 660.5
• InChiKey: CYLMWXHNKGDKEL-OPZQEPJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.8
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• DIAZABICYCLONONENE DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1622564A2

  公开（公告）日：2006-02-08
• [EN] NOVEL DIAZABICYCLONONENE DERIVATIVES<br/>[FR] DERIVES DE DIAZABICYCLONONENE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2004096116A2

  公开（公告）日：2004-11-11

  The invention relates to novel 3,9-diazabicyclo[3.3.1]nonene derivatives and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin.