6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0481 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C22 H21 Cl N4 S |
| Smiles: | Cc1ccc(CSc2nc3nc(C)c(Cc4ccccc4[Cl])c(C)n3n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4832 |
| logD: | 5.4831 |
| logSw: | -6.0058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | CHLJNUMULBOVSW-UHFFFAOYSA-N |