N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | D481-0729 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 512.37 |
| Molecular Formula: | C25 H19 Cl F N5 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C(Nc1nc2NC(=CC(c3c(cccc3[Cl])F)n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2651 |
| logD: | 5.2512 |
| logSw: | -5.8712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.428 |
| InChI Key: | DBFQHKZZMAKWKR-NRFANRHFSA-N |