1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-1226 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C21 H22 F N5 O S2 |
| Smiles: | C=CCn1c(c2cccs2)nnc1SCC(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8103 |
| logD: | 3.8103 |
| logSw: | -3.9353 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.89 |
| InChI Key: | BTMUIAIHNHORNA-UHFFFAOYSA-N |