(1R,5S)-7-{4-[3-(2-chloro-3,6-difluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | 889881-63-4

• 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: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide
• 英文别名: (1r,5s)-7-{4-[3-(2-Chloro-3,6-Difluorophenoxy)propyl]phenyl}-N-Cyclopropyl-N-(2,3-Dichlorobenzyl)-3,9-Diazabicyclo[3.3.1]non-6-Ene-6-Carboxamide；(1R,5S)-7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
• CAS: 889881-63-4
• 化学式: C₃₃H₃₂Cl₃F₂N₃O₂
• 分子量: 646.992
• InChiKey: SXZFQYPWEANJGQ-SKCUWOTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Novel Diazabicyclononene Derivative
  申请人：Bezencon Olivier

  公开号：US20080103152A1

  公开（公告）日：2008-05-01

  The invention relates to a novel 3,9-diazabicyclo[3.3.1]nonene derivative and the enantiomers thereof and the use thereof 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 at least one compound of formula (I) or (I′) and especially their use as inhibitors of renin.