rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4093 |
| Compound Name: | rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 389.28 |
| Molecular Formula: | C19 H18 Cl2 N4 O |
| Smiles: | CCOc1ccc(cc1[Cl])[C@@H]1C[C@H](c2ccccc2[Cl])n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.752 |
| logD: | 4.7519 |
| logSw: | -5.0666 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.279 |
| InChI Key: | INUVTMURWNFTCG-IAGOWNOFSA-N |