3,4,5-Trimethoxy-N-(2-methyl-2H-benzotriazol-5-yl)-benzamide | 142312-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 3,4,5-Trimethoxy-N-(2-methyl-2H-benzotriazol-5-yl)-benzamide
• 英文别名: 3,4,5-trimethoxy-N-(2-methylbenzotriazol-5-yl)benzamide
• CAS: 142312-68-3
• 化学式: C₁₇H₁₈N₄O₄
• 分子量: 342.354
• InChiKey: NWBGGENIKJICOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  87.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-硝基苯并三唑 在 palladium on activated charcoal 吡啶 、 氢气 、 sodium ethanolate 作用下， 以 甲醇 、 乙醇 、 苯 为溶剂， 反应 28.0h， 生成 3,4,5-Trimethoxy-N-(2-methyl-2H-benzotriazol-5-yl)-benzamide
  参考文献：
  名称：

  Synthesis, antimicrobial data and correlation analysis in a set of 2-alkyl-5-amidobenzotriazoles

  摘要：

  A set of 2-alkyl-5-amidobenzotriazoles has been prepared and characterized. Shake-flask partition coefficients (log P) and capacity factors (log k') have been experimentally determined. The in vitro antimicrobial activity against Gram-positive, Gram-negative and Candida albicans have been correlated, through regression analysis, with the corresponding partition coefficients.

  DOI：

  10.1016/0223-5234(92)90105-a

文献信息

• Synthesis, antimicrobial data and correlation analysis in a set of 2-alkyl-5-amidobenzotriazoles
  作者：G Caliendo、E Novellino、G Sagliocco、V Santagada、C Silipo、A Vittoria

  DOI：10.1016/0223-5234(92)90105-a

  日期：1992.3

  A set of 2-alkyl-5-amidobenzotriazoles has been prepared and characterized. Shake-flask partition coefficients (log P) and capacity factors (log k') have been experimentally determined. The in vitro antimicrobial activity against Gram-positive, Gram-negative and Candida albicans have been correlated, through regression analysis, with the corresponding partition coefficients.