A theoretical study on electronic structure and structure-activity properties of novel drug precursor 6-acylbenzothiazolon derivatives

International Journal of Quantum Chemistry

Volumn 111, Issue 14, 2011, Pages 3616-3629

  Gülseven Sidir, Yadägar ^a   Sidir, Äsa ^a   Taşal, Erol ^b   Öǧretir, Cemäl ^b  

^a BITLIS EREN UNIVERSITY   (Turkey)

^b ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

Author keywords

acylbenzothiazolon; AM1; analgesic activity; DFT; log P; molecular descriptors; octanol water partition coefficient; SAR

Indexed keywords

BIOACTIVITY; CHEMICAL BONDS; ELECTRON AFFINITY; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IONIZATION OF LIQUIDS; MOLECULES;

ACYLBENZOTHIAZOLON; ANALGESIC ACTIVITY; BIOLOGICAL INTERACTIONS; MOLECULAR DESCRIPTORS; OCTANOL-WATER PARTITION COEFFICIENT; PHARMACOLOGICAL EFFECTS; STRUCTURE-ACTIVITY RELATIONSHIPS; THERMODYNAMICALLY STABLE;

IONIZATION POTENTIAL;

EID: 80052081931     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22736     Document Type: Article

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