Synthesis, crystal structure, DFT, Hirshfeld surface, 3D energy frameworks analysis and molecular docking of pyrimidine derivative: A theoretical and experimental approach
Using X-ray diffraction, FT-IR, 1H, 13C NMR, and UV–Vis spectra as well as theoretical DFT calculations, Ethyl-2-methyl-4-phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo-[3,2-a]pyrimidine-3-carboxylate (T[3,2-a]P) has been synthesized and characterized. Physicochemical characteristics have been compared to...
I tiakina i:
| Ngā kaituhi matua: | , , , , , , , |
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| Hōputu: | Artigo |
| Reo: | Inglês |
| I whakaputaina: |
Elsevier
2023-12-01
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| Rangatū: | Chemical Physics Impact |
| Ngā marau: | |
| Urunga tuihono: | http://www.sciencedirect.com/science/article/pii/S2667022423001846 |
| Ngā Tūtohu: |
Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!
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