N-(1-benzylpiperidin-4-yl)-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
N-(1-benzylpiperidin-4-yl)-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Compound characteristics
| Compound ID: | Y043-1960 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(NC2CCN(CC2)Cc2ccccc2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4351 |
| logD: | 1.8774 |
| logSw: | -3.7662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.285 |
| InChI Key: | NTMKYMDLAHSIKZ-UHFFFAOYSA-N |