4-(4-{4-[(4-methylphenyl)methyl]-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)methyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}piperidine-1-carbonyl)benzonitrile
4-(4-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S383-0113 |
| Compound Name: | 4-(4-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | Cc1ccc(CN2C(C3CCN(CC3)C(c3ccc(C#N)cc3)=O)=NNC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3614 |
| logD: | 3.3608 |
| logSw: | -3.1078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.452 |
| InChI Key: | LYFVOYNFUPUFRI-UHFFFAOYSA-N |