2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M460-4079 |
| Compound Name: | 2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C25 H27 N7 O2 S |
| Smiles: | Cc1ccc(cc1)N1CCN(CC1)C1C2=NN(CC(Nc3cccc(c3)SC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2955 |
| logD: | 3.2952 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.469 |
| InChI Key: | OZKJPSVSYSZBSK-UHFFFAOYSA-N |