2-{[(2-chlorophenyl)methyl]amino}-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]amino}-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(2-chlorophenyl)methyl]amino}-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0171 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]amino}-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C22 H21 Cl N6 O |
| Smiles: | C1CN(CC2=CC(n3c(N2)nc(NCc2ccccc2[Cl])n3)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.5608 |
| logD: | 1.6675 |
| logSw: | -3.8169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.375 |
| InChI Key: | MJWWWAWCISWZGT-UHFFFAOYSA-N |