rel-(5R,7S)-5-(4-ethoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-5-(4-ethoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0550 |
| Compound Name: | rel-(5R,7S)-5-(4-ethoxyphenyl)-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C22 H27 N5 O |
| Smiles: | CCOc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)C(C)C)n2c(N1)nc(N)n2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7987 |
| logD: | 4.712 |
| logSw: | -4.5472 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.718 |
| InChI Key: | KDGZHLXYAWIMHA-WOJBJXKFSA-N |