3-{3-[4-(pyrimidin-2-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-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D627-0066 |
| Compound Name: | 3-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5-(thiophen-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C20 H22 N6 O3 S2 |
| Smiles: | C1CS(CC1n1c(cc(C(N2CCN(CC2)c2ncccn2)=O)n1)c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4876 |
| logD: | 1.4876 |
| logSw: | -2.2465 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.621 |
| InChI Key: | VUGLUXIHWAJBAU-OAHLLOKOSA-N |