rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0225 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-(2-chloro-6-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.66 |
| Molecular Formula: | C16 H12 Br Cl F N5 |
| Smiles: | C1[C@@H](c2ccc(cc2)[Br])Nc2nnnn2[C@H]1c1c(cccc1[Cl])F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2994 |
| logD: | 4.2994 |
| logSw: | -4.6079 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.546 |
| InChI Key: | WAJOFLITHGVXOI-ZIAGYGMSSA-N |