2-ethoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-ethoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
2-ethoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2556-1171 |
| Compound Name: | 2-ethoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C21 H16 N4 O6 S |
| Smiles: | CCOc1cc(\C=C2/C(n3c(nc(c4cccc(c4)[N+]([O-])=O)n3)S2)=O)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.693 |
| logD: | 3.693 |
| logSw: | -4.0826 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.625 |
| InChI Key: | BWNBDOZNIBSXKG-UHFFFAOYSA-N |