rel-(5R,7S)-5-(3-bromophenyl)-7-[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-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-bromophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4090 |
| Compound Name: | rel-(5R,7S)-5-(3-bromophenyl)-7-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 421.24 |
| Molecular Formula: | C18 H15 Br F2 N4 O |
| Smiles: | C1[C@@H](c2cccc(c2)[Br])Nc2ncnn2[C@H]1c1ccccc1OC(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3582 |
| logD: | 4.3581 |
| logSw: | -4.5331 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.76 |
| InChI Key: | ORFFTVRLIRPJRA-HUUCEWRRSA-N |