N-(3-mercapto-5-(naphthalen-1-yl)-4H-1,2,4-triazol-4-yl)benzamide | 1345512-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(3-mercapto-5-(naphthalen-1-yl)-4H-1,2,4-triazol-4-yl)benzamide
• 英文别名: N-(3-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide
• CAS: 1345512-21-1
• 化学式: C₁₉H₁₄N₄OS
• 分子量: 346.412
• InChiKey: QQQCHPWNWJCTDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-萘甲酰肼 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 N-(3-mercapto-5-(naphthalen-1-yl)-4H-1,2,4-triazol-4-yl)benzamide
  参考文献：
  名称：

  Synthesis, characterization, and antimicrobial evaluation of novel naphthalene-based 1,2,4-triazoles

  摘要：

  In order to search for new bioactive molecules with significant antimicrobial action, a series of 1,2,4-triazole and naphthalene analogs bearing structurally diverse substituents, N-(3-mercapto-5-(naphthalen-1-yl)-4H-1,2,4-triazol-4-yl)(aryl)amides 3a-l were synthesized in good yield by a multi-step synthetic procedure. Their antimicrobial activity was screened against various Gram-positive and Gram-negative bacteria and fungi. Compounds 3a, 3f, 3g, 3j, and 3k exerted strong inhibition of the investigated bacterial and fungal strains compared to control antibiotic ampicillin and antifungal griseofulvin. On the basis of statistical analysis, it is observed that the compounds give significant co-relation. All the synthesized compounds have been characterized by IR, H-1 NMR, C-13 NMR, and mass spectral data.

  DOI：

  10.1007/s00044-011-9833-8

文献信息

• Synthesis, characterization, and antimicrobial evaluation of novel naphthalene-based 1,2,4-triazoles
  作者：N. C. Desai、P. N. Shihora、K. M. Rajpara、V. V. Joshi、H. V. Vaghani、H. M. Satodiya、A. M. Dodiya

  DOI：10.1007/s00044-011-9833-8

  日期：2012.10

  In order to search for new bioactive molecules with significant antimicrobial action, a series of 1,2,4-triazole and naphthalene analogs bearing structurally diverse substituents, N-(3-mercapto-5-(naphthalen-1-yl)-4H-1,2,4-triazol-4-yl)(aryl)amides 3a-l were synthesized in good yield by a multi-step synthetic procedure. Their antimicrobial activity was screened against various Gram-positive and Gram-negative bacteria and fungi. Compounds 3a, 3f, 3g, 3j, and 3k exerted strong inhibition of the investigated bacterial and fungal strains compared to control antibiotic ampicillin and antifungal griseofulvin. On the basis of statistical analysis, it is observed that the compounds give significant co-relation. All the synthesized compounds have been characterized by IR, H-1 NMR, C-13 NMR, and mass spectral data.