ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-((5-sulphamoyl-1,3,4-thiadiazol-2-yl)carbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)-3-oxo-3-phenylpropanoate | 1290593-34-8

• 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: ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-((5-sulphamoyl-1,3,4-thiadiazol-2-yl)carbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)-3-oxo-3-phenylpropanoate
• CAS: 1290593-34-8
• 化学式: C₃₆H₂₈N₈O₇S₂
• 分子量: 748.8
• InChiKey: CMLFYWOTSHEYRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.74
• 重原子数：
  53.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  217.69
• 氢给体数：
  3.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  描述：

  4-苯甲酰基-1-(4-硝基苯基)-5-苯基-1H-吡唑-3-羧酸 在 盐酸 、 氯化亚砜 、 sodiumsulfide nonahydrate 、 sodium acetate 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-((5-sulphamoyl-1,3,4-thiadiazol-2-yl)carbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)-3-oxo-3-phenylpropanoate
  参考文献：
  名称：

  Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes

  摘要：

  In this study, some novel inhibitors were synthesised from the further stage reactions of 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carbonyl chloride with 5-amino-1,3,4-thiadiazole-2-sulphonamide 1 (inhibitor 1). They were characterised by elemental and spectral (

  DOI：

  10.3109/14756366.2010.491795

文献信息

• Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes
  作者：Rahmi Kasımoğulları、Metin Bülbül、Samet Mert、Hülya Güleryüz

  DOI：10.3109/14756366.2010.491795

  日期：2011.4.1

  In this study, some novel inhibitors were synthesised from the further stage reactions of 4-benzoyl-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole-3-carbonyl chloride with 5-amino-1,3,4-thiadiazole-2-sulphonamide 1 (inhibitor 1). They were characterised by elemental and spectral (