N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylbutanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylbutanamide
N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylbutanamide
Compound characteristics
| Compound ID: | D433-0887 |
| Compound Name: | N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylbutanamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C23 H22 F N5 O2 |
| Smiles: | CCC(C(N(Cc1nc2NC(C)=CC(n2n1)=O)c1ccc(cc1)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.451 |
| logD: | 0.7984 |
| logSw: | -3.6687 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | YTLYYCMOMPTOCM-LJQANCHMSA-N |