2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0409 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 422.98 |
| Molecular Formula: | C23 H23 Cl N4 S |
| Smiles: | Cc1ccc(C)c(Cc2c(C)nc3nc(nn3c2C)SCc2cccc(c2)[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4741 |
| logD: | 6.474 |
| logSw: | -6.3957 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | USMBVOSIKWXWTR-UHFFFAOYSA-N |