rel-(5R,7S)-5-(4-bromophenyl)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0033 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-[2-(difluoromethoxy)-3-methoxyphenyl]-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C18 H16 Br F2 N5 O2 |
| Smiles: | COc1cccc(c1OC(F)F)[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2nnnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9422 |
| logD: | 3.9422 |
| logSw: | -4.1767 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.954 |
| InChI Key: | OWBPAHKKFPAHLK-ZIAGYGMSSA-N |