2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0494 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 447.36 |
| Molecular Formula: | C21 H17 Cl2 F N4 S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.2371 |
| logD: | 6.2369 |
| logSw: | -6.2223 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | VGNSGJIXUSOFJN-UHFFFAOYSA-N |