3-benzyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-benzyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-benzyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2476-0014 |
| Compound Name: | 3-benzyl-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C18 H12 N2 O5 S2 |
| Smiles: | C(c1ccccc1)N1C(/C(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1586 |
| logD: | 4.1586 |
| logSw: | -4.3939 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 66.638 |
| InChI Key: | OTLGDTXZIFWOAM-UHFFFAOYSA-N |