4-[2-[[5-[[2-[(1-Butyltetrazol-5-yl)sulfanylmethyl]-4-chlorophenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[5-[[5-(diethylsulfamoyl)-2-[[5-hydroxy-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]-methylcarbamoyl]oxyphenyl]methylsulfanyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[2-[[5-[[2-[(1-Butyltetrazol-5-yl)sulfanylmethyl]-4-chlorophenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[5-[[5-(diethylsulfamoyl)-2-[[5-hydroxy-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]-methylcarbamoyl]oxyphenyl]methylsulfanyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate
• 英文别名: 4-[2-[[5-[[2-[(1-butyltetrazol-5-yl)sulfanylmethyl]-4-chlorophenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[5-[[5-(diethylsulfamoyl)-2-[[5-hydroxy-6-[(2-tetradecoxyphenyl)carbamoyl]naphthalen-1-yl]-methylcarbamoyl]oxyphenyl]methylsulfanyl]-1,2,4-thiadiazol-3-yl]sulfanyl]propanoate
• 化学式: C92H114ClN11O16S5
• 分子量: 1825.7
• InChiKey: CMCZOPRQAHVYHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.4
• 重原子数：
  125
• 可旋转键数：
  51
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  459
• 氢给体数：
  5
• 氢受体数：
  26