rel-(5R,7S)-5-[2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-[2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-[2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4592 |
| Compound Name: | rel-(5R,7S)-5-[2-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 372.37 |
| Molecular Formula: | C19 H18 F2 N4 O2 |
| Smiles: | COc1ccc(cc1)[C@H]1C[C@@H](c2ccccc2OC(F)F)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.478 |
| logD: | 3.4779 |
| logSw: | -3.6963 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.304 |
| InChI Key: | KKMFBYMQGPDOBM-HZPDHXFCSA-N |