2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0017 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C22 H20 Cl F N4 S |
| Smiles: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.13 |
| logD: | 6.1299 |
| logSw: | -6.2679 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | XHYBORGJRWGOPW-UHFFFAOYSA-N |