rel-(5R,7S)-7-(2-ethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2-ethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2-ethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1090 |
| Compound Name: | rel-(5R,7S)-7-(2-ethoxyphenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCOc1ccccc1[C@H]1C[C@@H](c2ccc(cc2)OC)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9531 |
| logD: | 3.953 |
| logSw: | -4.0917 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.823 |
| InChI Key: | RFTLNFVVKZFSHC-ROUUACIJSA-N |