6-[(2,5-dimethylphenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2,5-dimethylphenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2,5-dimethylphenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0410 |
| Compound Name: | 6-[(2,5-dimethylphenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 416.59 |
| Molecular Formula: | C25 H28 N4 S |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCc2cc(C)ccc2C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0462 |
| logD: | 7.0455 |
| logSw: | -5.7547 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | CEJWJLDZHOYRST-UHFFFAOYSA-N |