3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0060 |
| Compound Name: | 3-{3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C24 H28 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1cc(c2cccs2)n(C2CCS(C2)(=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4465 |
| logD: | 3.4465 |
| logSw: | -3.7858 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.958 |
| InChI Key: | BNVNNOSEVBJKEH-LJQANCHMSA-N |