6-benzyl-2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1461 |
| Compound Name: | 6-benzyl-2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 385.47 |
| Molecular Formula: | C23 H23 N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(CN1CCc3ccccc3C1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4486 |
| logD: | 2.1042 |
| logSw: | -3.5072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.637 |
| InChI Key: | XLGXVPKZLKADBL-UHFFFAOYSA-N |