N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Compound characteristics
| Compound ID: | Y041-0105 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CN2C(C=CC(c3ccc(cc3)SC)=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6017 |
| logD: | 2.6017 |
| logSw: | -3.0958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.121 |
| InChI Key: | LRJWZVXOZXOCGQ-UHFFFAOYSA-N |