N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0756 |
| Compound Name: | N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 467.05 |
| Molecular Formula: | C22 H27 Cl N2 O3 S2 |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(NCCSc2ccc(cc2)[Cl])=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2878 |
| logD: | 4.2878 |
| logSw: | -4.4905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | RASQEDMGVGLCTP-UHFFFAOYSA-N |