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Intra-molecular dunamics in biologically active 3H-pyrido[2,3-d]pyrimidin4-on derivatives investigated by H NMR

Kleps J., Klonowska M. M., Szatyłowicz H., Zimniak A.

Bulletin of the Polish Academy of Sciences. Chemistry

1998

Vol. 46, No. 4

451-457

Intra-molecular dynamics of homologue pyrimidin-4-on derivatives exhibiting defferent depressive, analgetic and convulsive generator activity has been studied and experimental thermodynamics parameters have been correlated with semiempirical AM1 calculation results. Simulated spatial structures of rotamers in selected transition states have been proposed.