N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-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-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D481-0811 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-methylbutanamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C23 H23 Cl F N5 O |
| Smiles: | CC(C)CC(Nc1nc2NC(=CC(c3c(cccc3[Cl])F)n2n1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5664 |
| logD: | 5.5642 |
| logSw: | -5.8939 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.943 |
| InChI Key: | AQWWJZPISBGTDL-IBGZPJMESA-N |