2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-0506 |
| Compound Name: | 2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(CN1C(C=CC(c2ccc(cc2)SC)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2231 |
| logD: | 3.2231 |
| logSw: | -3.452 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.863 |
| InChI Key: | RVMVWYJIFBLJPK-UHFFFAOYSA-N |