rel-(5R,7S)-5-(3-bromophenyl)-4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-bromophenyl)-4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-bromophenyl)-4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C202-3436 |
| Compound Name: | rel-(5R,7S)-5-(3-bromophenyl)-4-[(4-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine |
| Molecular Weight: | 494.37 |
| Molecular Formula: | C24 H21 Br F N5 O |
| Smiles: | COc1ccc(cc1)[C@H]1C[C@@H](c2cccc(c2)[Br])N(Cc2ccc(cc2)F)c2nnnn12 |
| Stereo: | RELATIVE |
| logP: | 5.656 |
| logD: | 5.656 |
| logSw: | -5.666 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 48.675 |
| InChI Key: | JXUAMEMKHUIDLU-GOTSBHOMSA-N |