2-(2-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-(2-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0616 |
| Compound Name: | 2-(2-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C24 H29 N5 O |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n2c(n1)nc(C1CCCCC1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1103 |
| logD: | 4.1102 |
| logSw: | -4.1686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.079 |
| InChI Key: | JPIQZIUMEPAASZ-UHFFFAOYSA-N |