Synthesis, single crystal X-ray, DFT, spectroscopic, molecular docking studies and in vitro biological evaluation of compound N-benzyl-4-(4-chlorophenyl)-2-oxobutanamide
Bhanuranjan Das, Anurag T. K. Baidya, Bharti Devi, Tanmay Rom, Avijit Kumar Paul, Banita Thakur, Taher Darreh‐Shori, Rajnish Kumar
Topics & Concepts
ChemistryNatural bond orbitalIntramolecular forceCrystallographyComputational chemistryLone pairBasis setIntermolecular forceSingle crystalCrystal structureMoleculeDensity functional theoryStereochemistryOrganic chemistryComputational Drug Discovery MethodsSynthesis and biological activityCrystallography and molecular interactions