Top Picks: new discover of C10H11NO2

Reference of 16251-45-9, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 16251-45-9.

Reference of 16251-45-9, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 16251-45-9, Name is (4S,5R)-4-Methyl-5-phenyloxazolidin-2-one, SMILES is O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1, belongs to oxazolidines compound. In a article, author is Bouzian, Younos, introduce new discover of the category.

Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate

In the molecular structure of the title compound, C20H21N3O7, the quinoline ring system is slightly bent, with a dihedral angle between the phenyl and the pyridine rings of 3.47 (7)degrees. In the crystal, corrugated layers of molecules extending along the ab plane are generated by C-H center dot center dot center dot O hydrogen bonds. The intermolecular interactions were quantified by Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are from H center dot center dot center dot H (42.3%), H center dot center dot center dot O/O center dot center dot center dot H (34.5%) and H center dot center dot center dot C/C center dot center dot center dot H (17.6%) contacts. Molecular orbital calculations providing electron-density plots of the HOMO and LUMO as well as molecular electrostatic potentials (MEP) were computed, both with the DFT/B3LYP/6-311 G++(d,p) basis set. A molecular docking study between the title molecule and the COVID-19 main protease (PDB ID: 6LU7) was performed, showing that it is a good agent because of its affinity and ability to adhere to the active sites of the protein.

Reference of 16251-45-9, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 16251-45-9.

Reference:
Oxazolidine – Wikipedia,
,Oxazolidine | C3H7NO – PubChem