ethyl 4-(2-cyclohexyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2-cyclohexyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)benzoate
ethyl 4-(2-cyclohexyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)benzoate
Compound characteristics
Compound ID: | Y020-9646 |
Compound Name: | ethyl 4-(2-cyclohexyl-6-oxopyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-yl)benzoate |
Molecular Weight: | 417.47 |
Molecular Formula: | C23 H23 N5 O3 |
Smiles: | CCOC(c1ccc(cc1)N1C=CC2=C(C=Nc3nc(C4CCCCC4)nn23)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9473 |
logD: | 3.9473 |
logSw: | -3.9175 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 71.037 |
InChI Key: | PEGLFOGDODVPEP-UHFFFAOYSA-N |