3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-0147 |
| Compound Name: | 3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H24 F N5 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(NCc2ccc(cc2)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5014 |
| logD: | 3.5014 |
| logSw: | -3.5315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.679 |
| InChI Key: | NKEWNZBNEXBTIL-UHFFFAOYSA-N |