4-[4-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
4-[4-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S383-2169 |
| Compound Name: | 4-[4-(5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | C1CN(CCC1C1=NNC(N1c1ccccc1)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3408 |
| logD: | 2.3175 |
| logSw: | -2.66 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.84 |
| InChI Key: | XRYULRHQLAJYMG-UHFFFAOYSA-N |