bis[4-methoxy-3-[4-amino-5-sulfanyl-4H-1,2,4-triazole-3-yl]phenyl]methane | 1259224-81-1

• 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: bis[4-methoxy-3-[4-amino-5-sulfanyl-4H-1,2,4-triazole-3-yl]phenyl]methane
• CAS: 1259224-81-1
• 化学式: C₁₉H₂₀N₈O₂S₂
• 分子量: 456.552
• InChiKey: ZBQAPGQHLOAXKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  131.92
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  bis[4-methoxy-3-[4-amino-5-sulfanyl-4H-1,2,4-triazole-3-yl]phenyl]methane 、 苯甲酸 在 三氯氧磷 作用下， 反应 10.0h， 以72%的产率得到bis[4-methoxy-3-(6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol)phenyl]methane
  参考文献：
  名称：

  Reddy, Cherkupally Sanjeeva; Rao, Lade Sanjeeva; Nagaraj, Adki, Acta Chimica Slovenica, 2010, vol. 57, # 3, p. 726 - 732

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(3-carboxy-4-methoxybenzyl)-2-methoxybenzoic acid 、 硫代卡巴肼 反应 3.0h， 以81%的产率得到bis[4-methoxy-3-[4-amino-5-sulfanyl-4H-1,2,4-triazole-3-yl]phenyl]methane
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Bis-[4-methoxy-3-(6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazin-3-yl)phenyl]methanes and Bis-[(triazolo[3,4-b]thiadiazipin-3-yl)phenyl]methanes

  摘要：

  A series of novel bis[4-methoxy-3-(6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)phenyl]methanes and bis[(triazolo[3,4-b]thiadiazepin-3-yl)phenyl]methanes (5a-e and 6a-e) has been synthesized and characterized by IR, H-1 and C-13 NMR, MS and elemental analysis. All the newly synthesized compounds were screened for their antibacterial activity against Bacillus subtilis, Staphylococcus aureus, Klobsinella aerogenes and Chromobacterium violaceum and antifungal activity against Candida albicans, Aspergillus fumigatus, Trichophyton rubrum and Trichophyton mentagrophytes. Compounds 5b, 5d, 5e, 6b, 6c and 6e exhibited potent activity against the tested bacteria and fungi, and emerged as potential molecules for further development.

  DOI：

  10.17344/acsi.2015.2124