2-{5-[(4-butoxy-3-ethoxyphenyl)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-butoxy-3-ethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(4-butoxy-3-ethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 5606-4386 |
| Compound Name: | 2-{5-[(4-butoxy-3-ethoxyphenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | CCCCOc1ccc(\C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6383 |
| logD: | 4.6383 |
| logSw: | -4.662 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.748 |
| InChI Key: | PQBCWIDLXNZPPK-UHFFFAOYSA-N |