N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 4772-0735 |
| Compound Name: | N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 504.52 |
| Molecular Formula: | C19 H12 N4 O7 S3 |
| Smiles: | C(C(NN1C(/C(=C\c2ccc(cc2)[N+]([O-])=O)SC1=S)=O)=O)N1C(c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.392 |
| logD: | 1.3916 |
| logSw: | -2.632 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.229 |
| InChI Key: | GKYYYAMRLNMLQP-UHFFFAOYSA-N |