N-[(3-chlorophenyl)methyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
N-[(3-chlorophenyl)methyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Compound characteristics
| Compound ID: | Y041-0527 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C20 H18 Cl N3 O2 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(NCc2cccc(c2)[Cl])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0073 |
| logD: | 4.0073 |
| logSw: | -4.4288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.019 |
| InChI Key: | OUKRDGUCSGQDGW-UHFFFAOYSA-N |