5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0172 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 421.93 |
| Molecular Formula: | C23 H23 N5 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)c1nc2NC(CN3CCc4ccccc4C3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3455 |
| logD: | 2.6427 |
| logSw: | -4.2242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.735 |
| InChI Key: | DKCCKLKRPJEQJY-UHFFFAOYSA-N |