N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0364 |
| Compound Name: | N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(phenylmethanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 485.04 |
| Molecular Formula: | C22 H26 Cl F N2 O3 S2 |
| Smiles: | C1CN(CCC1C(NCCSCc1c(cccc1[Cl])F)=O)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6254 |
| logD: | 3.6254 |
| logSw: | -3.851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | KTQWLXNLJLYSBR-UHFFFAOYSA-N |