3-{5-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0184 |
| Compound Name: | 3-{5-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C23 H26 N6 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(N2CCN(CC2)c2ncccn2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.247 |
| logD: | 2.2469 |
| logSw: | -2.6699 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.603 |
| InChI Key: | NKKFGEYGNIJERQ-LJQANCHMSA-N |