2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | M460-2016 |
| Compound Name: | 2-[8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C22 H19 F N6 O2 |
| Smiles: | C1CN(Cc2ccccc12)C1C2=NN(CC(Nc3ccc(cc3)F)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5264 |
| logD: | 2.5264 |
| logSw: | -2.849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.871 |
| InChI Key: | SAVGTLQFCITSSP-UHFFFAOYSA-N |