5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0402 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C22 H21 N5 O |
| Smiles: | Cc1ccccc1c1nc2NC(CN3CCc4ccccc4C3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4447 |
| logD: | 2.4266 |
| logSw: | -3.6795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.735 |
| InChI Key: | KNSVWUZULZBVJI-UHFFFAOYSA-N |