methyl 3-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Chemical Structure Depiction of
methyl 3-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
methyl 3-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate
Compound characteristics
| Compound ID: | 3130-0089 |
| Compound Name: | methyl 3-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoate |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C13 H12 N2 O3 S2 |
| Smiles: | COC(CCN1C(/C(=C\c2ccncc2)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4893 |
| logD: | 1.4893 |
| logSw: | -1.7873 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 46.699 |
| InChI Key: | YSJANDYHCSMXCU-UHFFFAOYSA-N |