N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide
Compound characteristics
| Compound ID: | G740-1078 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl)acetamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | CC1c2c(C(N(CC(NCCCN3CCc4ccccc4C3)=O)N=1)=O)c(C)n(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.5353 |
| logD: | 1.3312 |
| logSw: | -2.6874 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.3 |
| InChI Key: | LFDHKJREGKYLCR-UHFFFAOYSA-N |