1-[4-(6,12-Dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-hydroxypyridin-1-ium-4-yl)ethanone;1-[4-(6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone

• 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: 1-[4-(6,12-Dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-hydroxypyridin-1-ium-4-yl)ethanone;1-[4-(6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone
• 英文别名: 1-[4-(6,12-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-hydroxypyridin-1-ium-4-yl)ethanone;1-[4-(6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone
• 化学式: C53H54Br4Cl2N6O5+4
• 分子量: 1245.5
• InChiKey: IHXUMFMFHVQHNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.55
• 重原子数：
  70
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  5