4-methyl-N-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
Chemical Structure Depiction of
4-methyl-N-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
4-methyl-N-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | 1331-0068 |
| Compound Name: | 4-methyl-N-{5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C18 H13 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)C(NN1C(/C(=C/c2cccc(c2)[N+]([O-])=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4083 |
| logD: | 3.3769 |
| logSw: | -3.762 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.225 |
| InChI Key: | WBVFYGGJLHJHIW-UHFFFAOYSA-N |