rel-(5R,7S)-5-(3-bromophenyl)-7-[5-chloro-2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-bromophenyl)-7-[5-chloro-2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-bromophenyl)-7-[5-chloro-2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4588 |
| Compound Name: | rel-(5R,7S)-5-(3-bromophenyl)-7-[5-chloro-2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 455.69 |
| Molecular Formula: | C18 H14 Br Cl F2 N4 O |
| Smiles: | C1[C@@H](c2cccc(c2)[Br])Nc2ncnn2[C@H]1c1cc(ccc1OC(F)F)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0019 |
| logD: | 5.0018 |
| logSw: | -5.323 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.76 |
| InChI Key: | MPJWYVPDCNZVNY-HUUCEWRRSA-N |