1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7472-0107 |
| Compound Name: | 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-{[3-(piperidin-1-yl)quinoxalin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C25 H31 N7 O S |
| Smiles: | Cc1cc(C)nc(n1)N1CCN(CC1)C(CSc1c(nc2ccccc2n1)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4872 |
| logD: | 4.4868 |
| logSw: | -4.2759 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.181 |
| InChI Key: | NVEMAUWUPGZVSW-UHFFFAOYSA-N |