N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D481-0777 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C22 H20 Cl2 F N5 O |
| Smiles: | CC(C)CC(Nc1nc2NC(=CC(c3c(cccc3[Cl])F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7377 |
| logD: | 5.7356 |
| logSw: | -5.9985 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.943 |
| InChI Key: | RCEKPDWEYYYYSB-SFHVURJKSA-N |