2-(5-{[5-(2-nitrophenyl)furan-2-yl]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-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 4428-0021 |
| Compound Name: | 2-(5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 474.45 |
| Molecular Formula: | C23 H14 N4 O6 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C\c3ccc(c4ccccc4[N+]([O-])=O)o3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2021 |
| logD: | 4.2021 |
| logSw: | -4.6383 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.684 |
| InChI Key: | OKYYHQTWYPEKRV-UHFFFAOYSA-N |