1-[(3-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[(3-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
1-[(3-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0802 |
| Compound Name: | 1-[(3-methylphenyl)methanesulfonyl]-N-{4-[(phenylsulfanyl)methyl]phenyl}piperidine-4-carboxamide |
| Molecular Weight: | 494.67 |
| Molecular Formula: | C27 H30 N2 O3 S2 |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(Nc2ccc(CSc3ccccc3)cc2)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7265 |
| logD: | 4.7265 |
| logSw: | -4.428 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.663 |
| InChI Key: | ISMOQYZMYXOXQB-UHFFFAOYSA-N |