N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0354 |
| Compound Name: | N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C23 H30 N2 O3 S2 |
| Smiles: | Cc1cccc(CSCCNC(C2CCN(CC2)S(Cc2ccccc2)(=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: | AKXMNNVRJJZIBY-UHFFFAOYSA-N |