1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0131 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C25 H25 N5 O |
| Smiles: | Cc1ccc(cc1)c1nc2nc(C)c(CC(N3CCc4ccccc4C3)=O)c(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3217 |
| logD: | 4.3216 |
| logSw: | -4.3714 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.887 |
| InChI Key: | XKDRGSUGBQQZFM-UHFFFAOYSA-N |