N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0586 |
| Compound Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)-1-[(2-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 436.59 |
| Molecular Formula: | C21 H28 N2 O4 S2 |
| Smiles: | Cc1ccccc1CS(N1CCC(CC1)C(NCCSCc1ccco1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3389 |
| logD: | 3.3389 |
| logSw: | -3.3216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.847 |
| InChI Key: | XHJGGFJJTKHTDW-UHFFFAOYSA-N |