N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0980 |
| Compound Name: | N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(4-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 481.08 |
| Molecular Formula: | C23 H29 Cl N2 O3 S2 |
| Smiles: | Cc1ccc(CS(N2CCC(CC2)C(NCCSCc2ccc(cc2)[Cl])=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7511 |
| logD: | 3.7511 |
| logSw: | -4.1871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | QCMFDOVZWRFUFE-UHFFFAOYSA-N |