methyl 3-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
methyl 3-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
methyl 3-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3130-0991 |
| Compound Name: | methyl 3-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C14 H12 N2 O5 S2 |
| Smiles: | COC(CCN1C(/C(=C\c2cccc(c2)[N+]([O-])=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4554 |
| logD: | 2.4554 |
| logSw: | -2.6257 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 70.653 |
| InChI Key: | DTAGRDPUKVYLOF-UHFFFAOYSA-N |