4-{4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Chemical Structure Depiction of
4-{4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
4-{4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid
Compound characteristics
| Compound ID: | 3993-2664 |
| Compound Name: | 4-{4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoic acid |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C13 H12 N2 O3 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C\c2cccnc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8525 |
| logD: | -1.961 |
| logSw: | -1.232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.594 |
| InChI Key: | OLKBAHLYXLYVPC-UHFFFAOYSA-N |