rel-(5R,7S)-7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4572 |
| Compound Name: | rel-(5R,7S)-7-(4-bromophenyl)-5-(3,4-dimethylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 384.28 |
| Molecular Formula: | C18 H18 Br N5 |
| Smiles: | Cc1ccc(cc1C)[C@@H]1C[C@H](c2ccc(cc2)[Br])n2c(N1)nnn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8781 |
| logD: | 4.8781 |
| logSw: | -4.5809 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.546 |
| InChI Key: | ZCRVTCZWHWAZDP-IRXDYDNUSA-N |