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One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1H-imidazole derivatives

D. Rajaraman, L. Athishu Anthony, P. Nethaji, Ravali Vallangi

2022Journal of Molecular Structure43 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryNatural bond orbitalHOMO/LUMOComputational chemistryDensity functional theoryDocking (animal)MoleculeLipinski's rule of fiveCarbon-13 NMRStereochemistryChemical shiftProton NMRMolecular orbitalMolecular dynamicsImidazoleIn silicoOrganic chemistryPhysical chemistryBiochemistryGeneNursingMedicineSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsMulticomponent Synthesis of Heterocycles
One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(furan-2-yl)-4,5-diphenyl-1H-imidazole derivatives | Litcius