rel-(5R,7S)-5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | K832-4078 |
Compound Name: | rel-(5R,7S)-5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
Molecular Weight: | 377.78 |
Molecular Formula: | C17 H14 Cl F2 N5 O |
Smiles: | C1[C@@H](c2ccc(cc2)[Cl])Nc2nnnn2[C@H]1c1ccc(cc1)OC(F)F |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.7452 |
logD: | 3.7452 |
logSw: | -4.5938 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.151 |
InChI Key: | ORQZAVDXWWWEEH-HUUCEWRRSA-N |