3,5,6,7,8,9-Hexahydro-[1,2,4]triazolo[1,5-a]azepine-2-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 3,5,6,7,8,9-Hexahydro-[1,2,4]triazolo[1,5-a]azepine-2-thione
• 化学式: C₇H₁₁N₃S
• mdl: MFCD03414836
• 分子量: 169.25
• InChiKey: LSCHHNBPEMGLBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage
  申请人：Sem Daniel S.

  公开号：US20100305326A1

  公开（公告）日：2010-12-02

  Disclosed herein are methods related to drug development. The methods typically include steps whereby two chemical fragments are identified as binding to a target protein and subsequently the two chemical fragments are joined to create a new chemical entity that binds to the target protein.