N-[2-(4-methoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
N-[2-(4-methoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Compound characteristics
| Compound ID: | Y041-1056 |
| Compound Name: | N-[2-(4-methoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | COc1ccc(CCNC(CN2C(C=CC(c3ccc(cc3)SC)=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.067 |
| logD: | 3.067 |
| logSw: | -3.4217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.404 |
| InChI Key: | KNBKQMQUCHOZBZ-UHFFFAOYSA-N |