rel-(5R,7S)-7-(3-bromophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3-bromophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(3-bromophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0219 |
| Compound Name: | rel-(5R,7S)-7-(3-bromophenyl)-5-(3-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 385.26 |
| Molecular Formula: | C18 H17 Br N4 O |
| Smiles: | COc1cccc(c1)[C@@H]1C[C@H](c2cccc(c2)[Br])n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1859 |
| logD: | 4.1858 |
| logSw: | -4.3986 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.612 |
| InChI Key: | CEJLAVTZQSVZOC-SJORKVTESA-N |