6-(4-chlorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(4-chlorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
6-(4-chlorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y041-5251 |
| Compound Name: | 6-(4-chlorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C21 H24 Cl N3 O3 |
| Smiles: | C1CCC2(CCN(CC2C1)C(CN1C(C=CC(c2ccc(cc2)[Cl])=N1)=O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7394 |
| logD: | 2.7394 |
| logSw: | -3.3696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.812 |
| InChI Key: | SBEBUFMIVRKATG-UHFFFAOYSA-N |