3-[3-(4-benzylpiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(4-benzylpiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(4-benzylpiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0305 |
| Compound Name: | 3-[3-(4-benzylpiperidine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCC(CC2)Cc2ccccc2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8567 |
| logD: | 4.8567 |
| logSw: | -4.7395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.708 |
| InChI Key: | DNNJKTVGGPHSON-RUZDIDTESA-N |