methyl N-[(2S)-1-[5-[5-[4-[4-[[6-[2,5-dimethyl-4-(methylcarbamoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate

• 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: methyl N-[(2S)-1-[5-[5-[4-[4-[[6-[2,5-dimethyl-4-(methylcarbamoyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• 化学式: C₄₁H₄₈F₃N₉O₆
• 分子量: 819.9
• InChiKey: QNXJHTROJSRTPI-KJIXTYHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  59
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  13

文献信息

• [EN] CRYSTALLINE FORM OF A PYRIDYL-PIPERAZINYL HEPATITIS C VIRUS INHIBITOR<br/>[FR] FORME CRISTALLINE D'UN INHIBITEUR DU VIRUS DE L'HÉPATITE C PYRIDYLÉ-PIPÉRAZINYLÉ
  申请人：THERAVANCE INC

  公开号：WO2013165796A1

  公开（公告）日：2013-11-07

  The invention provides crystalline solid forms of (((S)-1-(S)-2-[4-(4'-[6-((2R,5S)-2,5-dimethyl-4-methylcarbamoyl-piperazin-1-yl)-pyridine-3-carbonyl]-amino}-2'-trifluoromethoxy-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester. The invention also provides pharmaceutical compositions comprising such crystalline solid forms, methods of using such crystalline solid forms to treat hepatitis C virus infection, and processes useful for preparing such crystalline solid forms.