4-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
4-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S454-0938 |
| Compound Name: | 4-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 425.45 |
| Molecular Formula: | C23 H19 N7 O2 |
| Smiles: | C1CN(CCC1n1cc(c2nc(c3ccccc3)no2)nn1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1256 |
| logD: | 3.1256 |
| logSw: | -3.0052 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 91.355 |
| InChI Key: | YMIZKVOLZATBJE-UHFFFAOYSA-N |