rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y020-6083 |
| Compound Name: | rel-(5R,7R)-7-(3,4-dimethoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C15 H20 N4 O2 S |
| Smiles: | C[C@@H]1C[C@H](c2ccc(c(c2)OC)OC)n2c(N1)nc(n2)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8768 |
| logD: | 2.8757 |
| logSw: | -3.3297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.881 |
| InChI Key: | UCDIVYDBAFEKSY-KOLCDFICSA-N |