rel-(5R,7S)-5-(3,4-dimethylphenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3,4-dimethylphenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3,4-dimethylphenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4569 |
| Compound Name: | rel-(5R,7S)-5-(3,4-dimethylphenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 348.45 |
| Molecular Formula: | C21 H24 N4 O |
| Smiles: | CCOc1ccc(cc1)[C@H]1C[C@@H](c2ccc(C)c(C)c2)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7534 |
| logD: | 4.7534 |
| logSw: | -4.4146 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.192 |
| InChI Key: | KMNZVUHMUWNSPV-PMACEKPBSA-N |