3-{3-[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{3-[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0063 |
| Compound Name: | 3-{3-[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C25 H28 N4 O3 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(N2CCN(CC2)C/C=C/c2ccccc2)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8017 |
| logD: | 2.8 |
| logSw: | -3.2645 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.517 |
| InChI Key: | AJWNOELXWYMPHM-OAQYLSRUSA-N |