3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G423-0020 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-7-(3-fluorophenyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C24 H22 F N5 O2 |
| Smiles: | C(CC(N1CCc2ccccc2C1)=O)Cc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6623 |
| logD: | 1.6623 |
| logSw: | -2.0262 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.151 |
| InChI Key: | OOEICPGZMDDULV-UHFFFAOYSA-N |