3-{5-(3,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-(3,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-(3,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0296 |
| Compound Name: | 3-{5-(3,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)C(c2ccco2)=O)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0941 |
| logD: | 2.0941 |
| logSw: | -2.5952 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.015 |
| InChI Key: | JKZDHBZHVBBOKR-HXUWFJFHSA-N |