2-{[(4-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-{[(4-chlorophenyl)methyl]amino}-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-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: | D412-0071 |
| Compound Name: | 2-{[(4-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(NCc2ccc(cc2)[Cl])n3)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.3735 |
| logD: | 1.4802 |
| logSw: | -3.7822 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.375 |
| InChI Key: | DXKVSXCKEFCVCZ-UHFFFAOYSA-N |