N-[5-(4-chlorophenyl)-7-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-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3,4-dimethoxybenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-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: | D413-0287 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-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(c3ccccc3)n2n1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.271 |
| logD: | 5.2637 |
| logSw: | -6.0348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.145 |
| InChI Key: | FKRVLUSPODBQHY-NRFANRHFSA-N |