4-(2-{2-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(2-{2-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carbonyl)benzonitrile
4-(2-{2-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | T505-1508 |
| Compound Name: | 4-(2-{2-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carbonyl)benzonitrile |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | C1CCN(C(C1)CCn1cc(C(N2CCCC2)=O)nn1)C(c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9988 |
| logD: | 1.9988 |
| logSw: | -2.0427 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.095 |
| InChI Key: | CMQCMTYNYNAKOS-LJQANCHMSA-N |