rel-(5R,7S)-7-[5-chloro-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[5-chloro-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[5-chloro-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4559 |
| Compound Name: | rel-(5R,7S)-7-[5-chloro-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 406.82 |
| Molecular Formula: | C19 H17 Cl F2 N4 O2 |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2cc(ccc2OC(F)F)[Cl])n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2255 |
| logD: | 4.2254 |
| logSw: | -4.7952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.304 |
| InChI Key: | HCHFCKCGQWBWIC-HOTGVXAUSA-N |