N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide--hydrogen chloride (1/1)
N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 6604-0024 |
| Compound Name: | N-[7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 524.41 |
| Molecular Formula: | C26 H22 Cl N5 O3 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1OC)C(Nc1nc2NC(=CC(c3ccc(cc3)[Cl])n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1616 |
| logD: | 5.1581 |
| logSw: | -5.866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.145 |
| InChI Key: | QKAHNFJENSWZQL-NRFANRHFSA-N |