rel-(5R,7S)-5-(4-bromophenyl)-7-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-5-(4-bromophenyl)-7-(2-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0452 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-7-(2-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: | COc1ccccc1[C@H]1C[C@@H](c2ccc(cc2)[Br])Nc2nc(N)nn12 |
| Stereo: | RELATIVE |
| logP: | 4.0799 |
| logD: | 4.0101 |
| logSw: | -4.4964 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.224 |
| InChI Key: | FBSXTPCAZKSAJD-HUUCEWRRSA-N |