methyl 4-chloro-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
methyl 4-chloro-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D356-0866 |
| Compound Name: | methyl 4-chloro-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C22 H25 Cl N2 O5 S |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(Nc2cc(ccc2[Cl])C(=O)OC)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0214 |
| logD: | 4.0188 |
| logSw: | -4.3686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.411 |
| InChI Key: | KWNDTECQLFGLHR-UHFFFAOYSA-N |