1-[3-(Dimethylamino)propyl]-6-hydroxy-4-methyl-5-[[4-(methyldiazenyl)phenyl]diazenyl]-3-pyridin-1-ium-1-ylpyridin-2-one;2-[[1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-5-pyridin-1-ium-1-ylpyridin-3-yl]diazenyl]-4-(methyldiazenyl)benzenesulfonate;ethene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[3-(Dimethylamino)propyl]-6-hydroxy-4-methyl-5-[[4-(methyldiazenyl)phenyl]diazenyl]-3-pyridin-1-ium-1-ylpyridin-2-one;2-[[1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-5-pyridin-1-ium-1-ylpyridin-3-yl]diazenyl]-4-(methyldiazenyl)benzenesulfonate;ethene
• 英文别名: 1-[3-(dimethylamino)propyl]-6-hydroxy-4-methyl-5-[[4-(methyldiazenyl)phenyl]diazenyl]-3-pyridin-1-ium-1-ylpyridin-2-one;2-[[1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-5-pyridin-1-ium-1-ylpyridin-3-yl]diazenyl]-4-(methyldiazenyl)benzenesulfonate;ethene
• 化学式: C48H59N14O7S+
• 分子量: 976.1
• InChiKey: UEHKXENSHDBQQM-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  253
• 氢给体数：
  2
• 氢受体数：
  17