3-{3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-(propan-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-(propan-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
3-{3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-(propan-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | D473-2101 |
| Compound Name: | 3-{3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-5-(propan-2-yl)-1H-pyrazol-1-yl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C23 H28 N4 O3 S2 |
| Smiles: | CC(C)c1cc(C(N2CCC(CC2)c2nc3ccccc3s2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.012 |
| logD: | 3.012 |
| logSw: | -3.2807 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.7 |
| InChI Key: | NCKNXNMGXRFUBJ-QGZVFWFLSA-N |