5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[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-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0321 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | COc1ccccc1CNc1nc2NC(CN3CCc4ccccc4C3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0001 |
| logD: | 1.1067 |
| logSw: | -3.4396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.006 |
| InChI Key: | UQVKPYSCHAOZKS-UHFFFAOYSA-N |