rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0070 |
| Compound Name: | rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-ethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 450.28 |
| Molecular Formula: | C19 H18 Br F2 N5 O |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2cc(ccc2OC(F)F)[Br])n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9609 |
| logD: | 4.9609 |
| logSw: | -4.6485 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.237 |
| InChI Key: | NALJOTGDYNGAON-HOTGVXAUSA-N |