rel-(5R,7S)-5-([1,1'-biphenyl]-4-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-([1,1'-biphenyl]-4-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-([1,1'-biphenyl]-4-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3549 |
| Compound Name: | rel-(5R,7S)-5-([1,1'-biphenyl]-4-yl)-7-(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C23 H19 Cl N4 |
| Smiles: | C1[C@@H](c2ccc(cc2)c2ccccc2)Nc2ncnn2[C@H]1c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7189 |
| logD: | 5.7188 |
| logSw: | -6.4921 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.797 |
| InChI Key: | VOJVOWYPPSULDF-VXKWHMMOSA-N |