Synthesis, structural elucidation, Hirshfeld surface, DFT, pharmacophore, and in silico studies of a piperonal derivative: A study based on experimental and theoretical methods | Synapse
March 3, 2026
Synthesis, structural elucidation, Hirshfeld surface, DFT, pharmacophore, and in silico studies of a piperonal derivative: A study based on experimental and theoretical methods
Key Points
The synthesis of a piperonal derivative reveals new structural insights and potential applications.
Hirshfeld surface analysis indicates specific intermolecular interactions, aiding structural understanding.
The study employs DFT calculations to confirm molecular geometry and electronic properties of the compound.
In silico studies highlight the pharmacophore, proposing its potential for further drug design in medicinal chemistry.