4-[4-(Benzotriazole-1-carbonylsulfanylmethyl)-4-bromo-3-methyl-5-oxopyrazol-1-yl]benzoic acid;2-[[4-bromo-1-(2,6-dichloro-4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-yl]methoxymethylidene]-4,5-dimethylcyclopentane-1,3-dione;4-chloro-4-(dimethylaminooxymethyl)-5-methyl-2-(4-methylphenyl)pyrazol-3-one;[4-chloro-3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-yl]methyl 5-nitroindazole-1-carboxylate;2-[(4-chloro-3-methyl-5-oxo-1-phenylpyrazol-4-yl)methoxymethylidene]propanedinitrile

• 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-[4-(Benzotriazole-1-carbonylsulfanylmethyl)-4-bromo-3-methyl-5-oxopyrazol-1-yl]benzoic acid;2-[[4-bromo-1-(2,6-dichloro-4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-yl]methoxymethylidene]-4,5-dimethylcyclopentane-1,3-dione;4-chloro-4-(dimethylaminooxymethyl)-5-methyl-2-(4-methylphenyl)pyrazol-3-one;[4-chloro-3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-yl]methyl 5-nitroindazole-1-carboxylate;2-[(4-chloro-3-methyl-5-oxo-1-phenylpyrazol-4-yl)methoxymethylidene]propanedinitrile
• 英文别名: 4-[4-(benzotriazole-1-carbonylsulfanylmethyl)-4-bromo-3-methyl-5-oxopyrazol-1-yl]benzoic acid;2-[[4-bromo-1-(2,6-dichloro-4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-yl]methoxymethylidene]-4,5-dimethylcyclopentane-1,3-dione;4-chloro-4-(dimethylaminooxymethyl)-5-methyl-2-(4-methylphenyl)pyrazol-3-one;[4-chloro-3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-yl]methyl 5-nitroindazole-1-carboxylate;2-[(4-chloro-3-methyl-5-oxo-1-phenylpyrazol-4-yl)methoxymethylidene]propanedinitrile
• 化学式: C87H75Br2Cl5N20O20S
• 分子量: 2089.8
• InChiKey: CCPMDMSGLDQHAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.33
• 重原子数：
  135
• 可旋转键数：
  22
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  531
• 氢给体数：
  1
• 氢受体数：
  32