methyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]propanoate
Chemical Structure Depiction of
methyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]propanoate
methyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]propanoate
Compound characteristics
Compound ID: | P573-7888 |
Compound Name: | methyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]propanoate |
Molecular Weight: | 359.36 |
Molecular Formula: | C17 H18 F N5 O3 |
Smiles: | CC(C(=O)OC)N1C(N2C(C)=CC(Nc3ccc(C)c(c3)F)=NC2=N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.785 |
logD: | 2.7823 |
logSw: | -3.2514 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.489 |
InChI Key: | ZLCZRVRYKRZCAR-NSHDSACASA-N |