2-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}acetamide
Chemical Structure Depiction of
2-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}acetamide
2-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | 2189-0919 |
| Compound Name: | 2-{5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-{5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl}acetamide |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C24 H20 N4 O6 S3 |
| Smiles: | COc1ccc(/C=C2/C(N(CC(Nc3ncc(Cc4cccc(c4)[N+]([O-])=O)s3)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6675 |
| logD: | 4.6666 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.531 |
| InChI Key: | CLPGTUFEYLICCW-UHFFFAOYSA-N |