Electronic factors in the structure-activity relations of some 1,4-benzodiazepin-2-ones

Abstract

Some significant correlations are observed between the CNS activities of a series of 59 benzodiazepines and some calculated electronic indices. The parameters concerned are the net charge on the carbonyl oxygen atom of the lactam ring and the total molecular dipole moment, correlations with the latter index being superior. The utility of the observed relationships is discussed.