6-[4-(methylsulfanyl)phenyl]-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(methylsulfanyl)phenyl]-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyridazin-3(2H)-one
6-[4-(methylsulfanyl)phenyl]-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-0501 |
| Compound Name: | 6-[4-(methylsulfanyl)phenyl]-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}pyridazin-3(2H)-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(N2CCN(CC2)c2ccccn2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9848 |
| logD: | 2.9759 |
| logSw: | -3.1291 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.712 |
| InChI Key: | NDBXPIOZTDXDDE-UHFFFAOYSA-N |