ethyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]butanoate
Chemical Structure Depiction of
ethyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]butanoate
ethyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]butanoate
Compound characteristics
| Compound ID: | P573-7889 |
| Compound Name: | ethyl 2-[7-(3-fluoro-4-methylanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]butanoate |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C19 H22 F N5 O3 |
| Smiles: | CCC(C(=O)OCC)N1C(N2C(C)=CC(Nc3ccc(C)c(c3)F)=NC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9642 |
| logD: | 3.9615 |
| logSw: | -3.9552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.653 |
| InChI Key: | IYLDWWNKAJPCIY-HNNXBMFYSA-N |