4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S383-2353 |
| Compound Name: | 4-{4-[4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(c2ccc(C#N)cc2)=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8857 |
| logD: | 2.8625 |
| logSw: | -3.1031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.84 |
| InChI Key: | CNEWLADHQHDGED-UHFFFAOYSA-N |