2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | K784-5808 |
| Compound Name: | 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 534 |
| Molecular Formula: | C25 H23 Cl F3 N5 O S |
| Smiles: | CCC(C(Nc1ccccc1C(F)(F)F)=O)Sc1nc2nc(C)c(Cc3cccc(c3)[Cl])c(C)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5115 |
| logD: | 6.5114 |
| logSw: | -6.1388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.22 |
| InChI Key: | GPJZSELWZLNFMO-NRFANRHFSA-N |