5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0365 |
| Compound Name: | 5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C27 H21 N5 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccco3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(C)c1)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.5818 |
| logD: | 5.5818 |
| logSw: | -5.4473 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.617 |
| InChI Key: | XQKLEXMGXGWFPH-UHFFFAOYSA-N |