3-{3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0182 |
| Compound Name: | 3-{3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-(4-methylphenyl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCN(CC2)C(c2ccco2)=O)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6552 |
| logD: | 1.6552 |
| logSw: | -2.222 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.015 |
| InChI Key: | CIOKEENATWXJRG-LJQANCHMSA-N |