6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2-chloro-6-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-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0639 |
| Compound Name: | 6-[(2-chloro-4-fluorophenyl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 465.35 |
| Molecular Formula: | C21 H16 Cl2 F2 N4 S |
| Smiles: | Cc1c(Cc2ccc(cc2[Cl])F)c(C)n2c(n1)nc(n2)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.3274 |
| logD: | 6.3274 |
| logSw: | -6.3618 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | ZDMFOTQLEBPSCX-UHFFFAOYSA-N |