rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4066 |
| Compound Name: | rel-(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C21 H23 Cl N4 O3 |
| Smiles: | CCOc1ccc(cc1[Cl])[C@@H]1C[C@H](c2cccc(c2OC)OC)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0252 |
| logD: | 4.0252 |
| logSw: | -4.5069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.626 |
| InChI Key: | RUPQKXDQVFQCJZ-IAGOWNOFSA-N |