5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(thiophen-2-yl)[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)[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)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D489-0132 |
| Compound Name: | 5-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C19 H17 N5 O S |
| Salt: | HCl |
| Smiles: | C1CN(CC2=CC(n3c(N2)nc(c2cccs2)n3)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0817 |
| logD: | 1.1788 |
| logSw: | -3.3107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.753 |
| InChI Key: | WUKRLHGQWLDZRL-UHFFFAOYSA-N |