2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0100 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C22 H20 Cl F N4 S |
| Smiles: | Cc1cccc(Cc2c(C)nc3nc(nn3c2C)SCc2ccc(cc2[Cl])F)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.241 |
| logD: | 6.2408 |
| logSw: | -6.311 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | MYTHRLJQUGXLGS-UHFFFAOYSA-N |