1-[(2-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[(2-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
1-[(2-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0583 |
| Compound Name: | 1-[(2-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide |
| Molecular Weight: | 494.67 |
| Molecular Formula: | C27 H30 N2 O3 S2 |
| Smiles: | Cc1ccccc1CS(N1CCC(CC1)C(Nc1ccc(CSc2ccccc2)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8021 |
| logD: | 4.8021 |
| logSw: | -4.4456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.663 |
| InChI Key: | KQFCZKDFIRFWAC-UHFFFAOYSA-N |