3-[3-(4-benzylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[3-(4-benzylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
3-[3-(4-benzylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0048 |
| Compound Name: | 3-[3-(4-benzylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C23 H26 N4 O3 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(N2CCN(CC2)Cc2ccccc2)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.004 |
| logD: | 1.9884 |
| logSw: | -2.5673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.539 |
| InChI Key: | YYEJUNMXKBQEHD-LJQANCHMSA-N |