rel-(5R,7S)-7-(3-bromophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-7-(3-bromophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-7-(3-bromophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0510 |
| Compound Name: | rel-(5R,7S)-7-(3-bromophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 400.28 |
| Molecular Formula: | C18 H18 Br N5 O |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](c2cccc(c2)[Br])n2c(N1)nc(N)n2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9217 |
| logD: | 3.8349 |
| logSw: | -4.2155 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.138 |
| InChI Key: | DWCZSVYWOYKRGV-HOTGVXAUSA-N |