2-methyl-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
Chemical Structure Depiction of
2-methyl-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
2-methyl-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
Compound characteristics
| Compound ID: | 2279-4974 |
| Compound Name: | 2-methyl-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C19 H13 N3 O6 S2 |
| Smiles: | Cc1ccccc1C(NN1C(/C(=C\c2cc3c(cc2[N+]([O-])=O)OCO3)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9983 |
| logD: | 2.9169 |
| logSw: | -3.6473 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.04 |
| InChI Key: | GXEHGVXAAKFYJB-UHFFFAOYSA-N |