rel-(5R,7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4542 |
| Compound Name: | rel-(5R,7S)-5-[4-chloro-2-(difluoromethoxy)phenyl]-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 436.84 |
| Molecular Formula: | C20 H19 Cl F2 N4 O3 |
| Smiles: | COc1cccc(c1OC)[C@H]1C[C@@H](c2ccc(cc2OC(F)F)[Cl])Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3434 |
| logD: | 4.3433 |
| logSw: | -4.5275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.108 |
| InChI Key: | SHZHDSDHTWCNTP-HUUCEWRRSA-N |