methyl 4-({1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carbonyl}amino)benzoate
methyl 4-({1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | J009-0322 |
| Compound Name: | methyl 4-({1-[(2-methylphenyl)methanesulfonyl]piperidine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Smiles: | Cc1ccccc1CS(N1CCCC(C1)C(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3713 |
| logD: | 3.3711 |
| logSw: | -3.4985 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.042 |
| InChI Key: | OOIILCUJLZWAGJ-SFHVURJKSA-N |