N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide
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-methylbenzamide
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | D481-0567 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbenzamide |
| Molecular Weight: | 496.37 |
| Molecular Formula: | C25 H19 Cl F N5 O |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)C(Nc1nc2NC(=CC(c3ccc(cc3)F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0426 |
| logD: | 5.9541 |
| logSw: | -6.3727 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.884 |
| InChI Key: | STKSOSITMRLRPG-JOCHJYFZSA-N |