rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-bromophenyl)-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-(4-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | 6321-0241 |
Compound Name: | rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-bromophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 461.36 |
Molecular Formula: | C24 H21 Br N4 O |
Smiles: | C1[C@@H](c2ccc(cc2)[Br])Nc2ncnn2[C@H]1c1ccc(cc1)OCc1ccccc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 5.6537 |
logD: | 5.6536 |
logSw: | -6.0229 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.296 |
InChI Key: | DWJXAPPONFZEJG-DHIUTWEWSA-N |