1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | M459-4682 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C20 H24 F N5 O S |
| Smiles: | C1CCN(C1)c1ccnc(n1)SCC(N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4606 |
| logD: | 3.4604 |
| logSw: | -3.7582 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.326 |
| InChI Key: | LISCKSNAKTUWGP-UHFFFAOYSA-N |