ethyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
ethyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
ethyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
Compound ID: | D298-0103 |
Compound Name: | ethyl [2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
Molecular Weight: | 341.37 |
Molecular Formula: | C17 H19 N5 O3 |
Smiles: | CCOC(CC1=C(C)Nc2nc(NCc3ccccc3)nn2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8072 |
logD: | 1.788 |
logSw: | -2.0913 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.051 |
InChI Key: | AGRGIQRIUAYXAA-UHFFFAOYSA-N |