2-(3-methylphenyl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3-methylphenyl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3-methylphenyl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2196 |
| Compound Name: | 2-(3-methylphenyl)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C25 H17 N5 O S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccc(C)c3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 6.0059 |
| logD: | 6.0059 |
| logSw: | -5.4664 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.847 |
| InChI Key: | TUEAAOJKFSCYQA-UHFFFAOYSA-N |