2-(4-methylphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-methylphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 3236-0108 |
| Compound Name: | 2-(4-methylphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C28 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)c1c(/C=C2/C(n3c(nc(c4ccc(C)cc4)n3)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.5342 |
| logD: | 6.5342 |
| logSw: | -5.7542 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.829 |
| InChI Key: | AONWECXGPITGPH-UHFFFAOYSA-N |