N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0760 |
| Compound Name: | N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 481.08 |
| Molecular Formula: | C23 H29 Cl N2 O3 S2 |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(NCCSCc2cccc(c2)[Cl])=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5901 |
| logD: | 4.5901 |
| logSw: | -4.5797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.098 |
| InChI Key: | ZBZRPVHBLBKFKT-UHFFFAOYSA-N |