rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-3022 |
| Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2cc(c(c(c2)OC)OC)OC)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0889 |
| logD: | 4.0888 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.047 |
| InChI Key: | DBFVIQYAXSKETO-ROUUACIJSA-N |