3-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 3057-0012 |
| Compound Name: | 3-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 372.8 |
| Molecular Formula: | C13 H9 Cl N2 O5 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc(c(c2)[N+]([O-])=O)[Cl])SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8638 |
| logD: | -0.6688 |
| logSw: | -2.9101 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.157 |
| InChI Key: | ISFMWGVYKQJBLY-UHFFFAOYSA-N |