Crystal structure, Hirshfeld analysis and a mol­ecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxa­diazol-3-yl]meth­yl}-2H-1,2,6-thia­diazine-4-carboxyl­ate

The title compound, C(15)H(22)N(4)O(5)S, was prepared via alkyl­ation of 3-(chloro­meth­yl)-5-(pentan-3-yl)-1,2,4-oxa­diazole in anhydrous dioxane in the presence of tri­ethyl­amine. The thia­diazine ring has an envelope conformation with the S atom displaced by 0.4883 (6) Å from the mean plane thro...

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Detalles Bibliográficos
Autores principales: Ivachtchenko, Alexandre V., Kovalenko, Sergiy M., Kravchenko, Dmitry V., Mitkin, Oleg D., Ivanov, Vladimir V., Langer, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944089/
https://www.ncbi.nlm.nih.gov/pubmed/31921445
http://dx.doi.org/10.1107/S2056989019015986

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6944089/
https://www.ncbi.nlm.nih.gov/pubmed/31921445
http://dx.doi.org/10.1107/S2056989019015986

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