4-[3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione | 1225029-07-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-[3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
• CAS: 1225029-07-1
• 化学式: C₂₃H₂₂FN₅S
• 分子量: 419.526
• InChiKey: LPOXGAKLDBPOGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.9
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  费耐力 、 4-氨基-5-甲基-4H-3-巯基-1,2,4-三唑 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以76%的产率得到4-[3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
  参考文献：
  名称：

  DNA cleavage and antimicrobial investigation of Co(II), Ni(II), and Cu(II) complexes with triazole Schiff bases: synthesis and spectral characterization

  摘要：

  The Co(II), Ni(II), and Cu(II) complexes with Schiff bases derived from 3-substituted-4-amino-5-mercapto-1,2,4-triazole and fluvastatin have been synthesized. Schiff bases exhibited thiol-thione tautomerism and coordinated to metal ion through azomethine nitrogen and thiolate sulphur atoms. Square planar geometry for all the metal complexes of the type ML2 has been proposed in the light of analytical, spectral (IR, UV-Vis., ESR, and FAB-mass), magnetic, and thermal studies. The antimicrobial studies of Schiff bases and their metal complexes against various antibacterial (Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Bacillus subtilis) and antifungal (Aspergillus niger, and Pencillium Chrysogenum) species by Minimum Inhibitory Concentration method revealed that, the metal complexes possess more healing antibacterial activity than the Schiff bases. Co(II), Ni(II), and Cu(II) complexes cleave the DNA isolated from A. niger.

  DOI：

  10.1007/s00044-010-9327-0