2-(4-tert-butylphenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-(4-tert-butylphenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0298 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C25 H27 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CN3CCc4ccccc4C3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1558 |
| logD: | 3.453 |
| logSw: | -4.9811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.735 |
| InChI Key: | MOVLQMNSZCTOFZ-UHFFFAOYSA-N |