3-[5-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[5-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[5-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0131 |
| Compound Name: | 3-[5-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CC1CCN(CC1)C(c1cc(c2ccc(C)cc2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7774 |
| logD: | 2.7774 |
| logSw: | -3.2415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.98 |
| InChI Key: | UHIHXVBCNPPBQC-GOSISDBHSA-N |