rel-(5R,7S)-7-(3-bromophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3-bromophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(3-bromophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | 6321-0213 |
Compound Name: | rel-(5R,7S)-7-(3-bromophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 355.23 |
Molecular Formula: | C17 H15 Br N4 |
Smiles: | C1[C@@H](c2ccccc2)Nc2ncnn2[C@H]1c1cccc(c1)[Br] |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.2575 |
logD: | 4.2574 |
logSw: | -4.4493 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.069 |
InChI Key: | ZDISUQYYBPFDRJ-HOTGVXAUSA-N |