N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D481-0573 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C22 H21 Cl F N5 O |
| Smiles: | CC(C)CC(Nc1nc2NC(=CC(c3ccc(cc3)F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4267 |
| logD: | 5.4246 |
| logSw: | -6.2348 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.943 |
| InChI Key: | PNQCJZLDHRQYLW-LJQANCHMSA-N |