2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-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-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-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-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3166 |
| Compound Name: | 2-(4-methylphenyl)-5-[(3-{3-methyl-4-[(prop-2-en-1-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 531.64 |
| Molecular Formula: | C31 H25 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2n(C(/C(=C/c3cn(c4ccccc4)nc3c3ccc(c(C)c3)OCC=C)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4942 |
| logD: | 7.4942 |
| logSw: | -5.6824 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.333 |
| InChI Key: | XGOZJISPTGTGLX-UHFFFAOYSA-N |