5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0571 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C20 H20 N6 O S |
| Salt: | HCl |
| Smiles: | C1CN(CC2=CC(n3c(N2)nc(NCc2cccs2)n3)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7538 |
| logD: | 0.8605 |
| logSw: | -3.137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.394 |
| InChI Key: | WUGYJJLOHAAQPV-UHFFFAOYSA-N |