1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0319 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C20 H19 F2 N5 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccc(cc2)F)[nH]1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.9386 |
| logD: | 1.7469 |
| logSw: | -3.325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.127 |
| InChI Key: | YCXGWISBFOMUCT-UHFFFAOYSA-N |