methyl N-[2-[(2S)-2-[5-[6-(5-cyclopropylthiophen-2-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate | 1620479-61-9

• 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-[2-[(2S)-2-[5-[6-(5-cyclopropylthiophen-2-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-(4-oxaspiro[2.5]octan-7-yl)-2-oxoethyl]carbamate
• CAS: 1620479-61-9
• 化学式: C₅₄H₆₀FN₉O₈S
• 分子量: 1014.19
• InChiKey: WVRGDWKKGOKNRT-JUFMZOARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  73
• 可旋转键数：
  14
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  226
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OFUSE THEREOF FOR THE TREATMENT OF VIRAL DISEASES
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20160257697A1

  公开（公告）日：2016-09-08

  Thiophene-substituted tetracyclic compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein A, A′, R 2 , R 3 , R 4 and R 5 are as defined herein. The compositions comprising at least one thiophene-substituted tetracyclic compound, and methods of using the thiophene-substituted tetracyclic compounds for treating or preventing HCV infection in a patient are also provided.