3-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazine-1-carbonyl]benzonitrile
3-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S352-0041 |
| Compound Name: | 3-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 442.48 |
| Molecular Formula: | C24 H22 N6 O3 |
| Smiles: | C1CN(CCN1C(c1cccc(C#N)c1)=O)C(c1c2COC(Cn2nn1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8598 |
| logD: | 0.8598 |
| logSw: | -1.4955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.92 |
| InChI Key: | MVPZCHMQBZCBQN-OAQYLSRUSA-N |