6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D527-0114 |
Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 441.53 |
Molecular Formula: | C26 H27 N5 O2 |
Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(N2CCc3ccccc3C2)=O)C(n2c1nc(c1ccccc1)n2)=O |
Stereo: | ACHIRAL |
logP: | 4.0227 |
logD: | 4.0227 |
logSw: | -3.9736 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.262 |
InChI Key: | AFXAQVJSBJATFP-UHFFFAOYSA-N |