3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoic acid
3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoic acid
Compound characteristics
Compound ID: | 1611-2636 |
Compound Name: | 3-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzoic acid |
Molecular Weight: | 359.4 |
Molecular Formula: | C17 H10 F N O3 S2 |
Smiles: | C(=C1/C(N(C(=S)S1)c1cccc(c1)C(O)=O)=O)\c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 3.9122 |
logD: | 1.2226 |
logSw: | -4.1186 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.239 |
InChI Key: | KZPMAUJRJISOLI-UHFFFAOYSA-N |