N-[2-(benzylsulfanyl)ethyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-[2-(benzylsulfanyl)ethyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0757 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C23 H30 N2 O3 S2 |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(NCCSCc2ccccc2)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6571 |
| logD: | 3.6571 |
| logSw: | -3.7198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | HITPQSRNSXNKKM-UHFFFAOYSA-N |