4.6 Article

4-(4-methoxyphenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)- one: Synthesis, crystal structure, Hirshfeld surface analysis, noncovalent, ADMET studies and biological evaluation

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Synthesis and substituent effect study on 13C NMR chemical shifts of 4-(substitue-phenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one

Yesim S. Kara et al.

Summary: Twelve novel 4-(substituted-phenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one derivatives were synthesized and characterized, and their carbon-13 nuclear magnetic resonance (NMR) chemical shifts were correlated with substituent effects using regression analysis.

JOURNAL OF MOLECULAR STRUCTURE (2022)

Article Chemistry, Multidisciplinary

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis o molecular crystals

Peter R. Spackman et al.

Summary: CrystalExplorer is a native cross-platform program that supports visualization and investigation of molecular crystal structures, with enhanced capabilities for calculating intermolecular interactions and quantum-mechanical properties. The software, including the latest version CrystalExplorer21, is available for free download and academic research use.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2021)

Article Chemistry, Physical

Synthesis, crystal and DFT studies of N-(carboxyethyl)-2-methylbenzothiazolium bromide

Mohamed El Mehdi Mekhzoum et al.

JOURNAL OF MOLECULAR STRUCTURE (2019)

Article Chemistry, Multidisciplinary

Synthesis, in vitro Antimicrobial, and Cytotoxic Activities of New 1,3,4-Oxadiazin-5(6H)-one Derivatives from Dehydroabietic Acid

Xiao-Yan Jin et al.

JOURNAL OF THE CHINESE CHEMICAL SOCIETY (2018)

Article Spectroscopy

Synthesis, structural characterization and theoretical approach of 3-(2,6-dichlorobenzyl)-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine

Flaiwei Ni et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)

Article Chemistry, Multidisciplinary

Crystal structure refinement with SHELXL

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY (2015)

Article Chemistry, Medicinal

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Xuan-Yu Meng et al.

Current Computer-Aided Drug Design (2012)

Article Chemistry, Medicinal

admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties

Feixiong Cheng et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Multidisciplinary

Revealing Noncovalent Interactions

Erin R. Johnson et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Software Review Chemistry, Multidisciplinary

OLEX2: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2009)

Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Chemistry, Multidisciplinary

A short history of SHELX

George M. Sheldrick

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)

Article Chemistry, Organic

Antibacterial activities of new (E)2-cyano-3-(3 ',4 '-dimethoxyphenyl)-2-propenoylamide derivatives

A. K. Ei-Ziaty et al.

SYNTHETIC COMMUNICATIONS (2007)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)