N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0131 |
| Compound Name: | N-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}ethyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 477.04 |
| Molecular Formula: | C19 H22 Cl F N2 O3 S3 |
| Smiles: | C1CN(CCC1C(NCCSCc1c(cccc1[Cl])F)=O)S(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6324 |
| logD: | 3.6324 |
| logSw: | -3.9326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.223 |
| InChI Key: | DQBTXGDWNDIIDK-UHFFFAOYSA-N |