1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl[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-[2-(4-methoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0239 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C25 H25 N5 O2 |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n2c(n1)nc(c1ccc(cc1)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.8807 |
| logD: | 3.8807 |
| logSw: | -4.197 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.431 |
| InChI Key: | CROAYUOFZYQTEZ-UHFFFAOYSA-N |