N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | 2109-0463 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C19 H15 N3 O6 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(C(=S)S2)NC(c2ccccc2[N+]([O-])=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3171 |
| logD: | 1.0667 |
| logSw: | -3.0418 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.185 |
| InChI Key: | UQSLINDMDABWAC-UHFFFAOYSA-N |