Hydrophobicity Parameters Determined by Reversed-Phase Liquid Chromatography. XVI : A New Hydrogen-Accepting Parameter for Monosubstituted Thiophenes and Furans for Correlating Retention Factors and Octanol-Water Partition Coefficients
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概要
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We recently proposed a new hydrogen-accepting parameter, S_<HA>, for monosubstituted (di) azines on the basis of the heat of formation calculated by the conductor-like screening model (COSMO) method. In this work, S_<HA> values for monosubstituted thiophenes and furans were calculated and the results were applied to the analysis of relationships between log P (P : 1-octanol/water partition coefficient) and log k (k : retention factor obtained by reversed phase HPLC). The S_<HA> parameter was found to work effectively as a hydrogen-bonding parameter in a range of heteroaromatic compounds.
- 公益社団法人日本薬学会の論文
- 2003-10-01
著者
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YAMAGAMI Chisako
Kobe Pharmaceutical University
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Tachikawa Hiromi
Kobe Pharmaceutical University
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Yamagami Chisako
Kobe Pharmaceutical Univ. Kobe Jpn
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