N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide
N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | 3232-1214 |
| Compound Name: | N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C13 H9 N3 O6 S2 |
| Smiles: | CC(NN1C(/C(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5568 |
| logD: | 1.5564 |
| logSw: | -2.508 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.21 |
| InChI Key: | KQWUJSJPHDFKPP-UHFFFAOYSA-N |