rel-(5R,7S)-5-(4-fluorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-fluorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-fluorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0123 |
| Compound Name: | rel-(5R,7S)-5-(4-fluorophenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C18 H17 F N4 |
| Smiles: | Cc1cccc(c1)[C@H]1C[C@@H](c2ccc(cc2)F)Nc2ncnn12 |
| Stereo: | RELATIVE |
| logP: | 3.9741 |
| logD: | 3.974 |
| logSw: | -3.9994 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | LVWREOUVEGWRIV-IAGOWNOFSA-N |