1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0509 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[5,7-dimethyl-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n2c(n1)nc(c1cccs1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6187 |
| logD: | 3.6187 |
| logSw: | -3.7184 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.906 |
| InChI Key: | UAIWILRGGGIKQV-UHFFFAOYSA-N |