N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0363 |
| Compound Name: | N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C23 H30 N2 O3 S2 |
| Smiles: | Cc1ccccc1CSCCNC(C1CCN(CC1)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6911 |
| logD: | 3.6911 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | WTXQBPDLQVWOSH-UHFFFAOYSA-N |