rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0145 |
| Compound Name: | rel-(5R,7S)-7-(5-bromo-2-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 404.24 |
| Molecular Formula: | C17 H15 Br F N5 O |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2cc(ccc2F)[Br])n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.087 |
| logD: | 4.087 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.089 |
| InChI Key: | QGMFETARCQKZPB-HOTGVXAUSA-N |