N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-2-(6-hexylsulfanylpurin-9-yl)-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-(6-methylpurin-9-yl)-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)-3-oxobutanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-2-(6-hexylsulfanylpurin-9-yl)-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-[6-(hexylamino)purin-9-yl]-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-(6-methylpurin-9-yl)-3-oxobutanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylpyrazolo[3,4-d]pyrimidin-1-yl)-3-oxobutanamide
• 化学式: C106H114Cl5N27O12S
• 分子量: 2167.5
• InChiKey: ZSDZHAGZTISZNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.48
• 重原子数：
  151
• 可旋转键数：
  38
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  525
• 氢给体数：
  7
• 氢受体数：
  29