N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0353 |
| Compound Name: | N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}-1-(phenylmethanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 494.67 |
| Molecular Formula: | C27 H30 N2 O3 S2 |
| Smiles: | Cc1cc(CSc2ccccc2)ccc1NC(C1CCN(CC1)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.368 |
| logD: | 4.368 |
| logSw: | -4.1353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.965 |
| InChI Key: | FJRLFXKFSCKWEN-UHFFFAOYSA-N |