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Quantum-Chemical Parameters for Studying the Structure – Ionization-Constant Relationship of N-Substituted Mono(Di)Halo(H)Anthranilic Acids and Their Amides and Hydrazides

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Pharmaceutical Chemistry Journal Aims and scope

Ionization constants (pKa and pKb) of N-substituted mono(di)halo(H)anthranilic acids and their amides and hydrazides were studied as functions of their quantum-chemical parameters. The predicted pKa and pKb values calculated for 10 new compounds of this series were confirmed experimentally. An analysis of the ionization constants predicted using the proposed equations showed them to be advantageous over other computer programs.

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Authors and Affiliations

  1. Perm State Pharmaceutical Academy, 2 Polevaya St., 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. 50, No. 3, pp. 23 – 27, March, 2016.

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Andryukov, K.V., Korkodinova, L.M. Quantum-Chemical Parameters for Studying the Structure – Ionization-Constant Relationship of N-Substituted Mono(Di)Halo(H)Anthranilic Acids and Their Amides and Hydrazides. Pharm Chem J 50, 159–164 (2016). https://doi.org/10.1007/s11094-016-1415-0

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  • DOI: https://doi.org/10.1007/s11094-016-1415-0

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