6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-5816 |
| Compound Name: | 6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H17 Cl F2 N4 S |
| Smiles: | Cc1c(Cc2ccc(cc2[Cl])F)c(C)n2c(n1)nc(n2)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.7005 |
| logD: | 5.7003 |
| logSw: | -6.0509 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | SSOCMEKLMALACW-UHFFFAOYSA-N |