rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
Compound ID: | 6321-0294 |
Compound Name: | rel-(5R,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
Molecular Weight: | 325.8 |
Molecular Formula: | C17 H16 Cl N5 |
Smiles: | C1[C@@H](c2ccc(cc2)[Cl])Nc2nc(N)nn2[C@H]1c1ccccc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.6906 |
logD: | 3.6038 |
logSw: | -4.5129 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 58.594 |
InChI Key: | JYCMJBUICIJYFQ-HUUCEWRRSA-N |