2-(3,4-dimethoxyphenyl)-5-{[3-(4-fluorophenyl)-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-(3,4-dimethoxyphenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3,4-dimethoxyphenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2226 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 525.56 |
| Molecular Formula: | C28 H20 F N5 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.3389 |
| logD: | 5.3389 |
| logSw: | -5.4304 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.089 |
| InChI Key: | JCTFYDPHCHONQT-UHFFFAOYSA-N |