3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0179 |
| Compound Name: | 3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCN(CC2)c2cccc(C)c2C)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2059 |
| logD: | 4.2059 |
| logSw: | -4.2253 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.939 |
| InChI Key: | BCVFPIXNSNLHDW-HSZRJFAPSA-N |