2-{2-[rel-(4aR,8aR)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-{2-[rel-(4aR,8aR)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
2-{2-[rel-(4aR,8aR)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-5193 |
| Compound Name: | 2-{2-[rel-(4aR,8aR)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethyl}-6-(3-methoxyphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | [H][C@]12CCCC[C@@]2(CCN(C1)C(CN1C(C=CC(c2cccc(c2)OC)=N1)=O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1633 |
| logD: | 2.1633 |
| logSw: | -2.3348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.356 |
| InChI Key: | IXIJOARXSOTPCI-JTSKRJEESA-N |