2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-4930 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-6-[(2-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 412.91 |
| Molecular Formula: | C21 H18 Cl F N4 S |
| Smiles: | Cc1c(Cc2ccccc2F)c(C)n2c(n1)nc(n2)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5132 |
| logD: | 5.513 |
| logSw: | -5.938 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | CFZOTTWTRKRRIC-UHFFFAOYSA-N |