2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y041-0390 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C20 H23 N3 O2 |
| Smiles: | C1CCC2=CC(N(CC(N3CCc4ccccc4C3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5349 |
| logD: | 2.5349 |
| logSw: | -2.4858 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.618 |
| InChI Key: | DIRNSOUNOSKDJV-UHFFFAOYSA-N |