rel-(5R,7S)-5-(2-chlorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(2-chlorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(2-chlorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0125 |
| Compound Name: | rel-(5R,7S)-5-(2-chlorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 324.81 |
| Molecular Formula: | C18 H17 Cl N4 |
| Smiles: | Cc1cccc(c1)[C@H]1C[C@@H](c2ccccc2[Cl])Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4414 |
| logD: | 4.4413 |
| logSw: | -4.5398 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | KBJFFYKZCMBMDG-IAGOWNOFSA-N |