2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide
2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K784-8723 |
| Compound Name: | 2-({6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(2,4,6-trifluorophenyl)methyl]acetamide |
| Molecular Weight: | 523.94 |
| Molecular Formula: | C23 H18 Cl F4 N5 O S |
| Smiles: | Cc1c(Cc2c(cccc2[Cl])F)c(C)n2c(n1)nc(n2)SCC(NCc1c(cc(cc1F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0552 |
| logD: | 5.0551 |
| logSw: | -5.2773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.026 |
| InChI Key: | KPIAMKXVULZLOK-UHFFFAOYSA-N |