N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2189-0867 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C19 H15 N3 O6 S2 |
| Smiles: | COc1ccc(/C=C2/C(N(C(=S)S2)NC(c2cccc(c2)[N+]([O-])=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.721 |
| logD: | 2.4611 |
| logSw: | -3.3337 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.486 |
| InChI Key: | UXRCPRFZDYTSPT-SXGWCWSVSA-N |