rel-(5R,7S)-5-(2-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(2-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(2-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0005 |
| Compound Name: | rel-(5R,7S)-5-(2-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 310.78 |
| Molecular Formula: | C17 H15 Cl N4 |
| Smiles: | C1[C@@H](c2ccccc2[Cl])Nc2ncnn2[C@H]1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9062 |
| logD: | 3.9061 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | TUUXKVQSJDVIOR-HZPDHXFCSA-N |