13-Chloro-10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 英文名称: 13-Chloro-10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
• 英文别名: 13-chloro-10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;10-[2-(4,5-dimethylimidazol-1-yl)ethyl]-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
• 化学式: C54H63ClN8
• 分子量: 859.6
• InChiKey: MVQRKKFOICSYOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.25
• 重原子数：
  63
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  6