3-{5-(3,4-dimethylphenyl)-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{5-(3,4-dimethylphenyl)-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{5-(3,4-dimethylphenyl)-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0294 |
| Compound Name: | 3-{5-(3,4-dimethylphenyl)-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(c1cc(c2ccc(C)c(C)c2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9637 |
| logD: | 3.9637 |
| logSw: | -3.9664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.24 |
| InChI Key: | FPFDCOYYRWVPSU-XMMPIXPASA-N |