rel-(5R,7S)-5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | G951-0118 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | COc1ccc(c(c1)[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2nnnn12)OC |
| Stereo: | RELATIVE |
| logP: | 4.0899 |
| logD: | 4.0899 |
| logSw: | -4.3435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.72 |
| InChI Key: | ROOBRSIHVZVICW-HZPDHXFCSA-N |