6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0634 |
| Compound Name: | 6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C23 H22 Cl F N4 S |
| Smiles: | Cc1ccc(C)c(CSc2nc3nc(C)c(Cc4ccc(cc4[Cl])F)c(C)n3n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8059 |
| logD: | 6.8051 |
| logSw: | -6.5769 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | VRSSFEJNMRJXLZ-UHFFFAOYSA-N |