4-[4-[[3-[3-(3,5-Dihydroxyphenyl)-4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazol-2-ium-1-yl]-4-methylpiperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1-[2-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(2,2,2-trifluoroethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]-2-fluoropiperazin-1-yl]ethyl]-1,2,4-triazol-4-ium-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[4-[[3-[3-(3,5-Dihydroxyphenyl)-4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazol-2-ium-1-yl]-4-methylpiperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1-[2-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(2,2,2-trifluoroethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]-2-fluoropiperazin-1-yl]ethyl]-1,2,4-triazol-4-ium-3-carboxamide
• 英文别名: 4-[4-[[3-[3-(3,5-dihydroxyphenyl)-4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazol-2-ium-1-yl]-4-methylpiperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1-[2-[4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(2,2,2-trifluoroethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]-2-fluoropiperazin-1-yl]ethyl]-1,2,4-triazol-4-ium-3-carboxamide
• 化学式: C67H72F4N16O9+2
• 分子量: 1321.4
• InChiKey: DIGWNPDADSCLCR-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  96
• 可旋转键数：
  16
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  286
• 氢给体数：
  9
• 氢受体数：
  20