ethyl ({5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}sulfanyl)acetate
ethyl ({5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8006-6563 |
| Compound Name: | ethyl ({5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C14 H12 N2 O5 S2 |
| Smiles: | CCOC(CSC1=NC(/C(=C\c2cccc(c2)[N+]([O-])=O)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.69 |
| logD: | 2.69 |
| logSw: | -2.8291 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 76.519 |
| InChI Key: | MZXGVAFCXMNPOU-UHFFFAOYSA-N |