Synthesis, X-Ray Crystal Structure, Hirshfeld Surface Analysis, and Molecular Docking Study of Novel Hepatitis B (HBV) Inhibitor: 8-Fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Synthesis, X-Ray Crystal Structure, Hirshfeld Surface Analysis, and Molecular Docking Study of Novel Hepatitis B (HBV) Inhibitor: 8-Fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

A method for the synthesis of 8-fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one 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 cry...

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Bibliographic Details
Main Authors: Aleksandr V. Ivashchenko, Oleg D. Mitkin, Dmitry V. Kravchenko, Irina V. Kuznetsova, Sergiy M. Kovalenko, Natalya D. Bunyatyan, Thierry Langer
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Crystals
Subjects:
hepatitis B
HBV
pharmaceutical crystals
3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
1H-indole
pyrimidin-4(3H)-one
hydrogen bond
Hirshfeld surface analysis
molecular docking study
Online Access:https://www.mdpi.com/2073-4352/9/8/379

Internet

https://www.mdpi.com/2073-4352/9/8/379

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