2-(4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Chemical Structure Depiction of
2-(4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
2-(4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Compound characteristics
| Compound ID: | 4491-2111 |
| Compound Name: | 2-(4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid |
| Molecular Weight: | 444.5 |
| Molecular Formula: | C21 H17 F N2 O4 S2 |
| Smiles: | C(CC(Nc1ccccc1C(O)=O)=O)CN1C(/C(=C/c2ccc(cc2)F)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6139 |
| logD: | -0.799 |
| logSw: | -3.7774 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.28 |
| InChI Key: | KTOBBCXQKIATEY-UHFFFAOYSA-N |