Synthesis, crystal structure, static and dynamic properties, molecular structure, reactive sites, wavefunction and molecular docking of 1-(3-((4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one

• Published in: Journal of molecular structure Vol. 1294; p. 136348
• Main Authors: Begaum, K. Parveen, Prabhu, T., Kaleeswaran, S., Kadaikunnan, Shine, Abbas, Ghulam, Muthu, S., Kestek, İrem, Ağar, Ayşen Alaman, Poyraz, Emine Berrin, Dege, Necmi
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.12.2023
• Subjects: ADME; DFT; FT-IR; MESP; Protein-ligand docking; MESP; FT-IR; Protein-ligand docking; DFT; ADME

•The Synthesis of 1-(3-((4-(diethylamino)−2-hydroxybenzylidene)amino)phenyl)ethan-1-one (SA106).•SA106 was investigated by FTIR and XRD.•Evaluated UV, HOMO-LUMO and MESP using solvents.•The intermolecular interactions were analyzed by Hirshfeld surfaces.•The Molecular docking simulation was calculat...