2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-0313 |
| Compound Name: | 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C25 H27 N3 O2 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(N2CCC(CC2)Cc2ccccc2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6527 |
| logD: | 4.6527 |
| logSw: | -4.4555 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.668 |
| InChI Key: | PPBBRVGEEWHYRK-UHFFFAOYSA-N |