2-((1-[4-(dimethylamino)-1-naphthyl]-1H-tetrazol-5-yl)thio)-N-(2-nitrophenyl)acetamide | 705969-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-((1-[4-(dimethylamino)-1-naphthyl]-1H-tetrazol-5-yl)thio)-N-(2-nitrophenyl)acetamide
• 英文别名: 2-[1-[4-(dimethylamino)-1-naphthyl]tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide；2-[1-[4-(dimethylamino)naphthalen-1-yl]tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
• CAS: 705969-17-1
• 化学式: C₂₁H₁₉N₇O₃S
• 分子量: 449.493
• InChiKey: FCXRMWPHQMPXKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] HIV REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TRANSCRIPTASE INVERSE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2005115147A2

  公开（公告）日：2005-12-08

  Tetrazolyl derivatives of Formula (I): are HIV reverse transcriptase inhibitors, wherein U is O, S(O)n where n is an integer equal to zero, 1 or 2, or N(R4); V is optionally substituted C1-8 alkylene; W is C(O)N(R2) or a direct bond linking V to R3; and R1, R2, R3 and R4 are defined herein. The derivatives of Formula I are useful in the inhibition of HIV reverse transcriptase, the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The derivatives are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The derivatives and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.