| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394510 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠The substituent effect, aromaticity, and electron density were analyzed for benzodiazepinones. ⺠Regardless the environment and the substituent, the N1H tautomer is much more stable than the other. ⺠Higher aromaticity is the main reason for much higher stability of the N1H tautomers. ⺠Substituent in the benzo ring modifies electron density of the diazepinone ring. ⺠Possibly, benzodiazepinone pharmaceutical activity can be controlled by proper substitution.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Grażyna KarpiÅska, Aleksander P. Mazurek, Jan Cz. Dobrowolski,