rel-(5R,7S)-5-(3-bromophenyl)-7-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-bromophenyl)-7-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-bromophenyl)-7-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0001 |
| Compound Name: | rel-(5R,7S)-5-(3-bromophenyl)-7-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 446.3 |
| Molecular Formula: | C19 H20 Br N5 O3 |
| Smiles: | COc1cc(c(cc1[C@H]1C[C@@H](c2cccc(c2)[Br])Nc2nnnn12)OC)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.286 |
| logD: | 3.286 |
| logSw: | -3.5306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.437 |
| InChI Key: | VLNRABQNMDVEMK-HUUCEWRRSA-N |