2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0016 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C22 H21 Cl N4 S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0396 |
| logD: | 6.0395 |
| logSw: | -6.1661 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | ZYWGIUBDNKIPGP-UHFFFAOYSA-N |