2-[2-(3,4-dimethoxyphenyl)ethyl]-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y041-7631 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | COc1ccc(CCc2nc3nccc(c4ccc(cc4)SC)n3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3665 |
| logD: | 4.3665 |
| logSw: | -4.4931 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.193 |
| InChI Key: | KJIFWFSZXKGLED-UHFFFAOYSA-N |