2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | SD18-0208 |
| Compound Name: | 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H31 F N6 O3 |
| Smiles: | CCN1C(N2CCOC(CC(NCCCN3CCN(CC3)c3ccccc3F)=O)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0329 |
| logD: | 0.7016 |
| logSw: | -2.0292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.897 |
| InChI Key: | KTRQUISTDFBKTE-IBGZPJMESA-N |