1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-1302 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(6-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C24 H23 F N6 O |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc(cc3)F)nn12)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7148 |
| logD: | 2.7148 |
| logSw: | -2.7967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.229 |
| InChI Key: | PVMLIZGTHUBHJR-UHFFFAOYSA-N |