Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate

A method of 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate synthesis has been developed and the electronic and spatial structure of a new biologically active molecule has been studied both theoretically and experimentally. The title compound was crystallized from acetonitrile and the...

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Hlavní autoři:	Alexandre V. Ivachtchenko, Oleg D. Mitkin, Dmitry V. Kravchenko, Sergiy M. Kovalenko, Svitlana V. Shishkina, Natalya D. Bunyatyan, Irina S. Konovalova, Irina G. Dmitrieva, Vladimir V. Ivanov, Thierry Langer
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2019-11-01
Edice:	Heliyon
Témata:	Organic chemistry Theoretical chemistry Pharmaceutical chemistry Hepatitis B HBV Pharmaceutical crystals
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2405844019363984
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