methyl N-[(2S)-1-[(2S)-2-[5-[12-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaen-5-yl]-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: methyl N-[(2S)-1-[(2S)-2-[5-[12-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]-8-oxa-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaen-5-yl]-1H-imidazol-2-yl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• 化学式: C₄₂H₄₅F₄N₉O₆
• 分子量: 847.9
• InChiKey: RRNSOXBHTXHWCL-ANFUHZJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  61
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  180
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• TETRACYCLIC XANTHENE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Coburn Craig A.

  公开号：US20140199264A1

  公开（公告）日：2014-07-17

  The present invention relates to novel Tetracyclic Xanthene Derivatives of Formula (I) and pharmaceutically acceptable salts thereof, wherein A, Y 1 , Y 2 , Z, R a , R b , R 1a , R 1b and R 2 are as defined herein. The present invention also relates to compositions comprising at least one Tetracyclic Xanthene Derivative, and methods of using the Tetracyclic Xanthene Derivatives for treating or preventing HCV infection in a patient.
• US9504690B2
  申请人：——

  公开号：US9504690B2

  公开（公告）日：2016-11-29