rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4216 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 407.67 |
| Molecular Formula: | C17 H13 Br Cl F N4 |
| Smiles: | C1[C@@H](c2ccc(cc2)[Br])Nc2ncnn2[C@H]1c1c(cccc1[Cl])F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6397 |
| logD: | 4.6397 |
| logSw: | -5.1051 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | CUSQKVXTRREOSE-HUUCEWRRSA-N |