rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0240 |
| Compound Name: | rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C24 H21 Cl N4 O |
| Smiles: | C1[C@@H](c2ccccc2[Cl])Nc2ncnn2[C@H]1c1ccc(cc1)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3162 |
| logD: | 5.3161 |
| logSw: | -6.1806 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.296 |
| InChI Key: | UPBNHTULMAMQOF-DHIUTWEWSA-N |