5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2303 |
| Compound Name: | 5-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 523.54 |
| Molecular Formula: | C28 H18 F N5 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)F)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.8648 |
| logD: | 4.8648 |
| logSw: | -4.9671 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.652 |
| InChI Key: | KIMHWJQUHCGUFR-UHFFFAOYSA-N |