3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 2189-0536 |
| Compound Name: | 3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 372.26 |
| Molecular Formula: | C13 H10 Br N O3 S2 |
| Smiles: | C(CN1C(/C(=C/c2cccc(c2)[Br])SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4419 |
| logD: | -0.0907 |
| logSw: | -2.5279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.076 |
| InChI Key: | LNSRBGSDKMPINU-UHFFFAOYSA-N |