2-{5-[(4-nitrophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{5-[(4-nitrophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(4-nitrophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 5629-0434 |
| Compound Name: | 2-{5-[(4-nitrophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C19 H12 N4 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3247 |
| logD: | 3.3247 |
| logSw: | -3.9595 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.415 |
| InChI Key: | SBRWYJFTCRKKOP-UHFFFAOYSA-N |