3-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0284 |
| Compound Name: | 3-[3-(4-benzylpiperazine-1-carbonyl)-5-(3,4-dimethylphenyl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CCN(CC2)Cc2ccccc2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2022 |
| logD: | 3.1866 |
| logSw: | -3.2737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.52 |
| InChI Key: | JPVSKDDUXVFIKV-XMMPIXPASA-N |