2-chloro-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-chloro-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide
2-chloro-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: | 3232-1219 |
| Compound Name: | 2-chloro-N-{5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}benzamide |
| Molecular Weight: | 463.87 |
| Molecular Formula: | C18 H10 Cl N3 O6 S2 |
| Smiles: | C1Oc2cc(/C=C3/C(N(C(=S)S3)NC(c3ccccc3[Cl])=O)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2345 |
| logD: | 3.053 |
| logSw: | -3.8899 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.04 |
| InChI Key: | LSEZUCBATQTHNF-UHFFFAOYSA-N |