rel-(5R,7S)-7-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1088 |
| Compound Name: | rel-(5R,7S)-7-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | Cc1ccc(cc1)[C@@H]1C[C@H](c2cc(ccc2OC)OC)n2c(N1)ncn2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0197 |
| logD: | 4.0196 |
| logSw: | -4.12 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.243 |
| InChI Key: | DOJQNUMSRFBXLA-ROUUACIJSA-N |