1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}ethan-1-one
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F989-0578 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C24 H25 F N6 O S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.098 |
| logD: | 4.0979 |
| logSw: | -4.1201 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.132 |
| InChI Key: | BLYXFJQYPDJQPE-UHFFFAOYSA-N |