methyl N-[(2S)-2,3,4,4,4-pentadeuterio-1-oxo-1-[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-(trideuteriomethyl)butan-2-yl]carbamate | 1257267-94-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl N-[(2S)-2,3,4,4,4-pentadeuterio-1-oxo-1-[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-(trideuteriomethyl)butan-2-yl]carbamate
• CAS: 1257267-94-9
• 化学式: C₄₃H₄₉F₃N₈O₇
• 分子量: 862.78
• InChiKey: LNTJDSZQMLLIDB-WYTKEAASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  61
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  184
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• Antiviral Compounds Composed of Three Aligned Aryl Moieties to Treat Diseases such as Hepatitis C
  申请人：Chen Kevin X.

  公开号：US20130164258A1

  公开（公告）日：2013-06-27

  The present invention relates to novel Tricyclic Compounds, compositions comprising at least one Tricyclic Compound, and methods of using Tricyclic Compounds for treating or preventing a viral infection or a virus-related disorder in a patient. The present invention provides Tricyclic Compounds of Formula (I): Non-limiting examples of the Compounds of Formula (I) include compound 44 The Compounds of Formula (II) can be useful for inhibiting HCV viral replication or replicon activity, and for treating or pre-venting HCV infection in a patient.