1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0140 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C20 H20 F N5 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccccc2)[nH]1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.8044 |
| logD: | 1.6127 |
| logSw: | -3.1556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.127 |
| InChI Key: | WTQBHOUAYWCHJQ-UHFFFAOYSA-N |