2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K784-7487 |
| Compound Name: | 2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 505.95 |
| Molecular Formula: | C23 H19 Cl F3 N5 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2721 |
| logD: | 5.2394 |
| logSw: | -5.8831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.006 |
| InChI Key: | SJVBMPPTDFZLGS-UHFFFAOYSA-N |