rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-2270 |
| Compound Name: | rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(3-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 452.12 |
| Molecular Formula: | C17 H13 Br2 F N4 |
| Smiles: | C1[C@@H](c2cccc(c2)[Br])Nc2ncnn2[C@H]1c1cc(ccc1F)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2038 |
| logD: | 5.2038 |
| logSw: | -5.6212 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | BHJZCALZTPTRJS-HOTGVXAUSA-N |