6-benzyl-4-[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
6-benzyl-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-4-[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: | D584-4014 |
| Compound Name: | 6-benzyl-4-[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])(C1=C(C)N(CC(N2CCc3ccccc3C2)=O)c2nc(c3ccccc3)nn2C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9154 |
| logD: | 4.9154 |
| logSw: | -4.6173 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.265 |
| InChI Key: | QWTMLSONFCZFAM-UHFFFAOYSA-N |