4-Acetyl-6-[[2-carboxy-4-[[3-carboxy-4-(methylamino)phenyl]methyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[3-carboxy-5-(methylamino)phenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid;4-acetyl-6-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid

• 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: 4-Acetyl-6-[[2-carboxy-4-[[3-carboxy-4-(methylamino)phenyl]methyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[3-carboxy-5-(methylamino)phenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid;4-acetyl-6-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
• 英文别名: 4-acetyl-6-[[2-carboxy-4-[[3-carboxy-4-(methylamino)phenyl]methyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[3-carboxy-5-(methylamino)phenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid;4-acetyl-6-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid;3-acetyl-4-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-(methylamino)phenyl]propan-2-yl]-2-methylphenyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
• 化学式: C100H90F12N8O30
• 分子量: 2111.8
• InChiKey: RGYSMXFWFRLANP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.71
• 重原子数：
  150
• 可旋转键数：
  33
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  643
• 氢给体数：
  19
• 氢受体数：
  46