3-{3-[4-(2-fluorophenyl)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-fluorophenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0062 |
| Compound Name: | 3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H23 F N4 O3 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(N2CCN(CC2)c2ccccc2F)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5014 |
| logD: | 2.5014 |
| logSw: | -2.7498 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.958 |
| InChI Key: | XLNUQIXSNBBNOW-MRXNPFEDSA-N |