2-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P572-8353 |
| Compound Name: | 2-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H23 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc(cc3)F)=O)C(N2C(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8251 |
| logD: | 2.8243 |
| logSw: | -3.1827 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.33 |
| InChI Key: | ZRSOVZQXTMSICD-UHFFFAOYSA-N |