N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0238 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 512.37 |
| Molecular Formula: | C25 H19 Cl F N5 O2 |
| Salt: | HCl |
| Smiles: | COc1ccccc1C(Nc1nc2NC(=CC(c3ccc(cc3)F)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4965 |
| logD: | 5.1436 |
| logSw: | -6.1252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.515 |
| InChI Key: | AONPLMAQXYPUKW-NRFANRHFSA-N |