rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0253 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 397.32 |
| Molecular Formula: | C20 H21 Br N4 |
| Smiles: | CC(C)c1ccc(cc1)[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.5775 |
| logD: | 5.5774 |
| logSw: | -5.7591 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | CJHBYQHSQFDMDI-RTBURBONSA-N |