2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-0505 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | CSc1ccc(cc1)C1C=CC(N(CC(N2CCc3ccccc3C2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6395 |
| logD: | 3.6395 |
| logSw: | -3.8395 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.602 |
| InChI Key: | JFUXLBWMQCUJGK-UHFFFAOYSA-N |