rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | 6321-0085 |
| Compound Name: | rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C19 H18 Cl F N4 O |
| Smiles: | CCOc1ccc(cc1)[C@@H]1C[C@H](c2c(cccc2[Cl])F)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1748 |
| logD: | 4.1748 |
| logSw: | -4.5219 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.192 |
| InChI Key: | BQAWFTHNSWQFFT-IRXDYDNUSA-N |