3-[4-[4-tert-butyl-2-[[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylamino]methyl]phenoxy]butanoylamino]propanoic acid;2-[2-[[[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]amino]methyl]-4-propan-2-ylphenoxy]-N-methylsulfonyldecanamide;4-[4-cyclohexyl-2-[[2-[6-(1-methylcyclohexyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]propylamino]methyl]phenoxy]tetradecanoic acid;4-[4-cyclohexyl-2-[[[2-methyl-2-[6-(1-methylcyclohexyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]propyl]amino]methyl]phenoxy]butanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[4-[4-tert-butyl-2-[[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylamino]methyl]phenoxy]butanoylamino]propanoic acid;2-[2-[[[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]amino]methyl]-4-propan-2-ylphenoxy]-N-methylsulfonyldecanamide;4-[4-cyclohexyl-2-[[2-[6-(1-methylcyclohexyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]propylamino]methyl]phenoxy]tetradecanoic acid;4-[4-cyclohexyl-2-[[[2-methyl-2-[6-(1-methylcyclohexyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]propyl]amino]methyl]phenoxy]butanoic acid
• 化学式: C135H210N22O14S
• 分子量: 2397.3
• InChiKey: HFIQWXHBWBFWBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.42
• 重原子数：
  172
• 可旋转键数：
  66
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  482
• 氢给体数：
  13
• 氢受体数：
  26