5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0121 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 436.94 |
| Molecular Formula: | C23 H24 N6 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNc2nc3NC(CN4CCc5ccccc5C4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2022 |
| logD: | 1.3088 |
| logSw: | -3.2812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.375 |
| InChI Key: | CBCVXRMNTYCQJI-UHFFFAOYSA-N |