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Volumn 18, Issue 5, 1999, Pages 482-489

A comprehensive investigation of the partitioning and hydrogen bonding behavior of indole containing derivatives of 1,3,4-thiadiazole and 1,2,4-triazole by means of experimental and calculative approaches

Author keywords

High performance liquid chromatography; Hydrogen bond donor and acceptor factor; Partition coefficients

Indexed keywords

COMPLEXATION; CYCLOHEXANE; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY;

EID: 0032745870     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(199911)18:5<482::AID-QSAR482>3.0.CO;2-R     Document Type: Article
Times cited : (18)

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    • note
    • Newer calculations with the latest version of ClogP, v.4.0 give improved lipophilicity predictions for all compounds leading to the following values: 1a = 2.71, 1b = 3.21, 1c = 3.88, 1d = 4.78, 1e = 2.54, 1f = 3.04, 2a = 2.94, 2b = 3.48, 2c = 4.11, 3a = 2.99, 3b = 3.26, 4a = 3.22, 4c = 4.39. Except for the 2-series the agreement with the measured values is acceptable.
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