3-[3-(4-acetylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(4-acetylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(4-acetylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0253 |
| Compound Name: | 3-[3-(4-acetylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | CC(N1CCN(CC1)C(c1cc(c2ccc(C)c(C)c2)n(C2CCS(C2)(=O)=O)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5281 |
| logD: | 1.5281 |
| logSw: | -2.2355 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.176 |
| InChI Key: | ZMQYQNBLKOPMEE-LJQANCHMSA-N |