rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
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]pyrimidin-2-amine
rel-(5R,7S)-5-(4-bromophenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0543 |
| 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]pyrimidin-2-amine |
| Molecular Weight: | 412.33 |
| Molecular Formula: | C20 H22 Br N5 |
| Smiles: | CC(C)c1ccc(cc1)[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2nc(N)nn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2637 |
| logD: | 5.1769 |
| logSw: | -5.3395 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.594 |
| InChI Key: | ZHWWLHZXNWODJB-QZTJIDSGSA-N |