(1S,2S,5R)-2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid

• 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: (1S,2S,5R)-2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclopentane-1-carboxylic acid
• 化学式: C₂₇H₂₂ClN₃O₄
• 分子量: 487.9
• InChiKey: IZELHWKNGUMVAY-APTRMMRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  99.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• CHIRAL 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND USE THEREOF
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20170119776A1

  公开（公告）日：2017-05-04

  The present application relates to novel, chiral 2,5-disubstituted cyclopentanecarboxylic acid derivatives, to a method for their preparation, to their use on their own or in combinations for the treatment and/or prevention of diseases, and to their use for producing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of diseases of the respiratory tracts, the lung and the cardiovascular system.