2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | G731-0212 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-fluorophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C20 H19 Cl F N5 O S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.206 |
| logD: | 2.0143 |
| logSw: | -3.8493 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.826 |
| InChI Key: | SOVPLMMFBDREKX-UHFFFAOYSA-N |