3-{5-(3,4-dimethylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-(3,4-dimethylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-(3,4-dimethylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0298 |
| Compound Name: | 3-{5-(3,4-dimethylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C24 H28 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)c2ncccn2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6858 |
| logD: | 2.6858 |
| logSw: | -2.8307 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.603 |
| InChI Key: | ZEYKYLODZXNGKK-HXUWFJFHSA-N |