Determination of lipophilicity of some new 1,2,4-triazole derivatives by RP-HPLC and RP-TLC and calculated methods

Anna M. Hawrył, Ryszard S. Świeboda, Mateusz S. Gawroński, Magdalena A. Wójciak-Kosior, Łukasz P. Popiołek, Ryszard B. Kocjan
2015 Current Chemistry Letters  
Experimental and computational approaches were used to estimate the lipophilicity of novel 1,2,4-triazole derivatives. These derivatives have been subjected to this research, because they exhibit antimicrobial activity. The chromatographic analysis of RP-HPLC and RP-TLC was carried out using methanol-water or acetonitrile-water as mobile phase. The linear relationships between (or ) values and the concentration of organic modifier were obtained. The lipophilicity was expressed as
more » ... ally derived descriptors: , , ϕ0 and scores and corresponding to the first principal component. The experimental lipophilicity data have been compared with the computer calculated lipophilicity parameters ( , , , ℎ ) of the same molecules. The matrices were created with or 0 and logP and they have been the subject of PCA analysis.
doi:10.5267/j.ccl.2015.4.002 fatcat:czc2sflchjblbmiihmniukz2z4