rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0076 |
| Compound Name: | rel-(5R,7S)-7-[5-bromo-2-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C18 H16 Br F2 N5 O2 |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2cc(ccc2OC(F)F)[Br])n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0126 |
| logD: | 4.0126 |
| logSw: | -4.2334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.781 |
| InChI Key: | GXGXQRYBXMQTJO-GJZGRUSLSA-N |