rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
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]pyrimidin-2-amine
rel-(5R,7S)-7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Compound characteristics
| Compound ID: | 6321-0375 |
| 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]pyrimidin-2-amine |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C19 H19 Cl F N5 O |
| Smiles: | CCOc1ccc(cc1)[C@@H]1C[C@H](c2c(cccc2[Cl])F)n2c(N1)nc(N)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8609 |
| logD: | 3.8328 |
| logSw: | -4.409 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.718 |
| InChI Key: | NYEOYMYOFJILAF-HOTGVXAUSA-N |