rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0060 |
| Compound Name: | rel-(5R,7S)-5-(4-ethylphenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C19 H19 F N4 |
| Smiles: | CCc1ccc(cc1)[C@@H]1C[C@H](c2ccc(cc2)F)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3652 |
| logD: | 4.3651 |
| logSw: | -4.2279 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.069 |
| InChI Key: | WQFVQZVBKNRZRG-ROUUACIJSA-N |