2-Sulfanyl-6,7-dihydro-1,3-diazocine-4,8(3H,5H)-dione

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: 2-Sulfanyl-6,7-dihydro-1,3-diazocine-4,8(3H,5H)-dione
• 英文别名: 2-sulfanylidene-1,3-diazocane-4,8-dione
• 化学式: C₆H₈N₂O₂S
• 分子量: 172.21
• InChiKey: IVVDIFKHIDFMSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  3

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.