rel-(5R,7S)-5-(3-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0128 |
| Compound Name: | rel-(5R,7S)-5-(3-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C19 H20 N4 O |
| Smiles: | Cc1cccc(c1)[C@H]1C[C@@H](c2cccc(c2)OC)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8778 |
| logD: | 3.8777 |
| logSw: | -4.001 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.612 |
| InChI Key: | KASQGAAHSIKCDG-QZTJIDSGSA-N |