2-{6-oxo-5-[(1-phenyl-3-{4-[(propan-2-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-[(propan-2-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-[(propan-2-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: | 4341-3295 |
| Compound Name: | 2-{6-oxo-5-[(1-phenyl-3-{4-[(propan-2-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: | 563.63 |
| Molecular Formula: | C31 H25 N5 O4 S |
| Smiles: | CC(C)Oc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6616 |
| logD: | 5.6616 |
| logSw: | -5.376 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.469 |
| InChI Key: | SFSMDRWMGUUXEO-UHFFFAOYSA-N |