![]() ![]() It shows that calculation methods can be useless for the preliminary lipophilicity determination of such a kind of compounds. The reason can be the specific special structure of the tested phenothiazine derivatives consisting of tetracyclic system with additional nitrogen atom. No computer programs gave values of log P calc close to values of log P TLC obtained experimentally. The thousands separator should be commas, when the decimal point is a full stop. The results of log P calc for the compounds 1–13 were quite different according to the computer program used (log P calc = 1.69–5.98). There is a hint in the placeholder on how to install lua (brew install lua53) Sure, good point. Also, none of the computer programs gave values of lipophilicity parameters close to these obtained by experimental method. ![]() None of the computer programs took into consideration the influence of substituents in a structure of the tested compounds, and in this case, the calculated lipophilicity parameter had the same value for all isomers with the same substituent. The computer programs applied based on different theoretical approaches gave different values of lipophilicity parameters depending on the kind of substituent in the quinobenzothiazine system. 124 in Utilities 4.7 546 Ratings 9. Phenothiazine derivatives were modified mainly by introduction of substituents into the nitrogen atom of the thiazine ring. Also, cluster analysis was performed for the data obtained. The correlation between the experimental and the theoretical values of lipophilicity was found. Experimental lipophilicity parameters ( R M0 and log P TLC) were determined by use of thin-layer chromatography, and also some theoretical values of lipophilicity were calculated by use of computer programs. These are newly synthesized compounds, which were previously analyzed taking into consideration biological activity and their antiproliferative activity. The aim of this work was the application of thin-layer chromatography to the lipophilicity analysis of selected quinobenzothiazine derivatives.
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