4-benzyl-6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-benzyl-6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-benzyl-6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D584-0214 |
| Compound Name: | 4-benzyl-6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C30 H27 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(N2CCc3ccccc3C2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2199 |
| logD: | 5.2199 |
| logSw: | -5.1263 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.265 |
| InChI Key: | XUUXDSJBWDIQPO-UHFFFAOYSA-N |