2-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-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-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-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: | 4428-0014 |
| Compound Name: | 2-(5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C29 H21 N5 O3 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C/c3cn(c4ccccc4)nc3c3ccc(C)cc3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4185 |
| logD: | 5.4185 |
| logSw: | -5.3535 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.666 |
| InChI Key: | WLZMVLKNBIFOPL-UHFFFAOYSA-N |