4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-oxidonaphthalen-1-yl]oxyphenyl]hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonate;4-[4-[4-hydroxy-3-[(5-methyl-2-octoxyphenyl)carbamoyl]naphthalen-1-yl]oxyanilino]-4-oxobutanoic acid;methyl 2-[5-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-[2-(2,4-dimethylphenoxy)hexanoylamino]-4-hydroxyphenoxy]acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-oxidonaphthalen-1-yl]oxyphenyl]hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonate;4-[4-[4-hydroxy-3-[(5-methyl-2-octoxyphenyl)carbamoyl]naphthalen-1-yl]oxyanilino]-4-oxobutanoic acid;methyl 2-[5-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-[2-(2,4-dimethylphenoxy)hexanoylamino]-4-hydroxyphenoxy]acetate
• 化学式: C108H109ClN10O26S2-2
• 分子量: 2062.7
• InChiKey: PBZDLDVOUCBFGM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  21.6
• 重原子数：
  147
• 可旋转键数：
  44
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  564
• 氢给体数：
  12
• 氢受体数：
  30