2,4-bis{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}thiolan-3-one
Chemical Structure Depiction of
2,4-bis{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}thiolan-3-one
2,4-bis{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}thiolan-3-one
Compound characteristics
| Compound ID: | C249-0112 |
| Compound Name: | 2,4-bis{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}thiolan-3-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H16 F2 N4 O S |
| Smiles: | C1C(=C/c2c[nH]nc2c2ccc(cc2)F)\C(/C(=C/c2c[nH]nc2c2ccc(cc2)F)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9586 |
| logD: | 4.9586 |
| logSw: | -4.9505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.78 |
| InChI Key: | JTEOEBVHCGDKMH-UHFFFAOYSA-N |