dimethyl 5-{[1-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C436-0885 |
| Compound Name: | dimethyl 5-{[1-(3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C21 H26 N4 O7 S |
| Smiles: | Cc1c(c(C)[nH]n1)S(N1CCCC(C1)C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.815 |
| logD: | 1.8145 |
| logSw: | -2.5716 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.237 |
| InChI Key: | KMKATZSSYWDSTR-AWEZNQCLSA-N |