4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1486 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Smiles: | CC1=CC(n2c(nc(c3cccc(C)c3)n2)N1CC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.615 |
| logD: | 3.615 |
| logSw: | -3.6377 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.4 |
| InChI Key: | JUXQFRXXKMKAAV-UHFFFAOYSA-N |