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Prediction of the Octanol–Water Partition Coefficients of N-Aryl-Substituted Anthranilic Acid Derivatives

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Pharmaceutical Chemistry Journal Aims and scope

The dependence of lipophilicity constants (log P) on quantum-chemical parameters of structural fragments in N-aryl-substituted anthranilic acid derivatives was studied. Quantum-chemical calculations of the structures of the studied compounds were performed using the Gaussian 03 program. Three correlation equations relating the lipophilicity constants and the quantum-chemical parameters were obtained. Predicted values of log P for five new compounds from the series were calculated using these equations and were further confirmed experimentally. Acomparative analysis of the log P values predicted by the obtained Equation (1) showed its advantage over other computer programs.

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Authors and Affiliations

  1. Perm State Pharmaceutical University, Perm, 614990, Russia

    K. V. Andryukov & L. M. Korkodinova

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  1. K. V. Andryukov
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  2. L. M. Korkodinova
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Correspondence to K. V. Andryukov.

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Translated from Khimiko-Farmatsevticheskii Zhurnal, Vol. 47, No. 12, pp. 38 – 41, December, 2013.

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Andryukov, K.V., Korkodinova, L.M. Prediction of the Octanol–Water Partition Coefficients of N-Aryl-Substituted Anthranilic Acid Derivatives. Pharm Chem J 47, 660–663 (2014). https://doi.org/10.1007/s11094-014-1027-5

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  • DOI: https://doi.org/10.1007/s11094-014-1027-5

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