1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-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-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G731-0655 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H22 F N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc([nH]1)SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8919 |
| logD: | 1.7002 |
| logSw: | -3.3753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.67 |
| InChI Key: | MSWJIUUICJANPY-UHFFFAOYSA-N |