2-[2-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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: | D458-0401 |
| Compound Name: | 2-[2-(4-tert-butylphenyl)-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: | 453.59 |
| Molecular Formula: | C28 H31 N5 O |
| Smiles: | Cc1c(CC(N2CCc3ccccc3C2)=O)c(C)n2c(n1)nc(c1ccc(cc1)C(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.6928 |
| logD: | 5.6927 |
| logSw: | -5.5395 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.887 |
| InChI Key: | CTBROEMWELHSIW-UHFFFAOYSA-N |