5-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-2226 |
| Compound Name: | 5-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C25 H16 F N5 O2 S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cccs3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(c(c1)F)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6048 |
| logD: | 5.6048 |
| logSw: | -5.5387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.477 |
| InChI Key: | BCIFPPGIQXXGHZ-UHFFFAOYSA-N |