An analysis of the lipophilicity of furazan and furoxan derivatives using the CLOGP algorithm

Abstract

The partition coefficients of a series of furazan and furoxan derivatives have been measured and analysed by means of the CLOGP algorithm. The f_non and f_non(O) fragmental constants have been evaluated as well as the pairs of σ/ρ constants, which are able to describe the electronic interactions operating in the substituted systems. Analysis of the alkyl derivatives shows that the ‘benzyl carbon’ requires a large and negative correction factor when linked to either of these two heterocyclic rings rather than to benzene. In contrast, in 1,2,5-thia and 1,2,5-selenadiazole this same carbon behaves similarly to that attached to a phenyl ring.