2-(4-chlorophenyl)-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)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0079 |
| Compound Name: | 2-(4-chlorophenyl)-5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | C1CN(CC2=CC(n3c(N2)nc(c2ccc(cc2)[Cl])n3)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9561 |
| logD: | 2.2533 |
| logSw: | -4.5614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.735 |
| InChI Key: | BFEWVJBMLTVNKS-UHFFFAOYSA-N |