rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Chemical Structure Depiction of
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0538 |
| Compound Name: | rel-(5R,7S)-7-[4-(benzyloxy)phenyl]-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C26 H27 N5 O2 |
| Smiles: | CCOc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)OCc2ccccc2)n2c(N1)nc(N)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8749 |
| logD: | 4.7881 |
| logSw: | -4.8532 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.945 |
| InChI Key: | CKWHKYRMUDBNNS-ZEQRLZLVSA-N |