2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0904 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 534.05 |
| Molecular Formula: | C28 H25 Cl F N5 O S |
| Smiles: | CC1=C(C(c2ccc(C)cc2)n2c(N1)nc(n2)SCc1c(cccc1[Cl])F)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7299 |
| logD: | 6.7294 |
| logSw: | -6.3718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.893 |
| InChI Key: | DKKMCFWPJJZTMW-VWLOTQADSA-N |