1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5,7-dimethyl-2-phenyl[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-phenyl[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-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0023 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5,7-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C24 H23 N5 O |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n2c(n1)nc(c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7933 |
| logD: | 3.7932 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.887 |
| InChI Key: | UEMRKPQGTMUFJM-UHFFFAOYSA-N |