5-Phenyl-1,3-dihydro-1,4-benzodiazepin-2-ones. Experimental verification of substituent constants.
The partition coefficient, pK-values and the angle of twist of the 5-phenyl ring of 65 5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ones were experimentally determined. Linear regression models were applied to examine existing additivity rules. The experimental and calculated values are mostly in good agreement. Systematic deviations confirm that, with the models commonly used, some of the substituent effects are not fully accounted for.
D001570:Benzodiazepinones; D055598:Chemical Phenomena; D002621:Chemistry; D002627:Chemistry, Physical; D008968:Molecular Conformation; D012995:Solubility; D013056:Spectrophotometry, Ultraviolet
D001570:Benzodiazepinones