methyl 6-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Chemical Structure Depiction of
methyl 6-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
methyl 6-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate
Compound characteristics
| Compound ID: | 3643-3099 |
| Compound Name: | methyl 6-{4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoate |
| Molecular Weight: | 350.46 |
| Molecular Formula: | C16 H18 N2 O3 S2 |
| Smiles: | COC(CCCCCN1C(/C(=C\c2ccncc2)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4938 |
| logD: | 2.4938 |
| logSw: | -2.2982 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 46.699 |
| InChI Key: | YPSBXHGMVCKHNO-UHFFFAOYSA-N |