methyl 2-methyl-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-methyl-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
methyl 2-methyl-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D356-0841 |
| Compound Name: | methyl 2-methyl-3-({1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(Nc2cccc(C(=O)OC)c2C)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5592 |
| logD: | 3.5591 |
| logSw: | -3.6429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.411 |
| InChI Key: | QJBFRVLYBSEYJI-UHFFFAOYSA-N |