4-{[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
4-{[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | D413-0177 |
| Compound Name: | 4-{[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 407.4 |
| Molecular Formula: | C21 H18 F N5 O3 |
| Smiles: | C(CC(Nc1nc2NC(=CC(c3ccc(cc3)F)n2n1)c1ccccc1)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6975 |
| logD: | -0.2519 |
| logSw: | -3.1305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.326 |
| InChI Key: | KGDURUZPHDAMOE-KRWDZBQOSA-N |