rel-(5R,7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0228 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2nnnn12 |
| Stereo: | RELATIVE |
| logP: | 3.5631 |
| logD: | 3.5631 |
| logSw: | -3.6901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.806 |
| InChI Key: | VWQQMFHIJIKDBT-HUUCEWRRSA-N |