1-[[1-Carbamoyl-4-[4-morpholin-4-yl-6-[4-[[4-(piperazine-1-carbonyl)phenyl]carbamoylamino]phenyl]-1,3,5-triazin-2-yl]-1,4-diazepan-1-ium-1-yl]methyl]-4-[[4-[4-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]carbamoylamino]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,4-diazepan-1-ium-1-carboxamide

• 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-[[1-Carbamoyl-4-[4-morpholin-4-yl-6-[4-[[4-(piperazine-1-carbonyl)phenyl]carbamoylamino]phenyl]-1,3,5-triazin-2-yl]-1,4-diazepan-1-ium-1-yl]methyl]-4-[[4-[4-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]carbamoylamino]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,4-diazepan-1-ium-1-carboxamide
• 英文别名: 1-[[1-carbamoyl-4-[4-morpholin-4-yl-6-[4-[[4-(piperazine-1-carbonyl)phenyl]carbamoylamino]phenyl]-1,3,5-triazin-2-yl]-1,4-diazepan-1-ium-1-yl]methyl]-4-[[4-[4-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]carbamoylamino]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1,4-diazepan-1-ium-1-carboxamide
• 化学式: C66H86N22O8+2
• 分子量: 1315.5
• InChiKey: MVPIXBYWVWUUDR-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  96
• 可旋转键数：
  16
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  333
• 氢给体数：
  7
• 氢受体数：
  20