N-[2-(benzylsulfanyl)ethyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-[2-(benzylsulfanyl)ethyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0538 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C23 H30 N2 O3 S2 |
| Smiles: | Cc1ccccc1CS(N1CCC(CC1)C(NCCSCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7326 |
| logD: | 3.7326 |
| logSw: | -3.7925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | HYWNYRIORFPTDU-UHFFFAOYSA-N |