2-{6-oxo-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{6-oxo-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{6-oxo-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 4341-3297 |
| Compound Name: | 2-{6-oxo-5-[(1-phenyl-3-{4-[(prop-2-en-1-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 561.62 |
| Molecular Formula: | C31 H23 N5 O4 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C/c3cn(c4ccccc4)nc3c3ccc(cc3)OCC=C)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5282 |
| logD: | 5.5282 |
| logSw: | -5.4382 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.084 |
| InChI Key: | AERORHRNFAGMFK-UHFFFAOYSA-N |