N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carboxamide
N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | J009-0363 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1ccccc1CS(N1CCCC(C1)C(Nc1ccc(CC#N)cc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7132 |
| logD: | 2.7132 |
| logSw: | -3.1295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.36 |
| InChI Key: | XWNRVNNTXKPRLD-IBGZPJMESA-N |