2-(4-Methoxy-phenyl)-5-methyl-4-{[4-(5-thioxo-4,5-dihydro-[1,3,4]oxadiazol-2-yl)-phenyl]-hydrazono}-2,4-dihydro-pyrazol-3-one

• 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: 2-(4-Methoxy-phenyl)-5-methyl-4-{[4-(5-thioxo-4,5-dihydro-[1,3,4]oxadiazol-2-yl)-phenyl]-hydrazono}-2,4-dihydro-pyrazol-3-one
• 英文别名: (4Z)-2-(4-methoxyphenyl)-5-methyl-4-[[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]hydrazinylidene]pyrazol-3-one
• 化学式: C₁₉H₁₆N₆O₃S
• 分子量: 408.44
• InChiKey: FZSXBEZTCXRPGA-PGMHBOJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-甲氧基苯肼盐酸盐 、 3-Oxo-2-{[4-(5-thioxo-4,5-dihydro-[1,3,4]oxadiazol-2-yl)-phenyl]-hydrazono}-butyric acid ethyl ester 在 溶剂黄146 作用下， 以58%的产率得到2-(4-Methoxy-phenyl)-5-methyl-4-{[4-(5-thioxo-4,5-dihydro-[1,3,4]oxadiazol-2-yl)-phenyl]-hydrazono}-2,4-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Synthesis, characterization of novel coupling products and 4-arylhydrazono-2-pyrazoline-5-ones as potential antimycobacterial agents

  摘要：

  Novel coupling products 7a-d and 4-arylhydrazono-2 pyrazoline-5-ones 8a-e were synthesized and evaluated for antimycobacterial activity against Mycobacterium tuberculosis H37Rv and Mycobacterium avium. Compound 7b was found to be the most potent derivatives of the 7a-d series by an MIC value of 6.25 mug/ml. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0014-827x(02)01253-3

文献信息

• Synthesis, characterization of novel coupling products and 4-arylhydrazono-2-pyrazoline-5-ones as potential antimycobacterial agents
  作者：Ş.Güniz Küçükgüzel、Sevim Rollas

  DOI：10.1016/s0014-827x(02)01253-3

  日期：2002.7

  Novel coupling products 7a-d and 4-arylhydrazono-2 pyrazoline-5-ones 8a-e were synthesized and evaluated for antimycobacterial activity against Mycobacterium tuberculosis H37Rv and Mycobacterium avium. Compound 7b was found to be the most potent derivatives of the 7a-d series by an MIC value of 6.25 mug/ml. (C) 2002 Published by Editions scientifiques et medicales Elsevier SAS.