2-(benzylsulfanyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0403 |
| Compound Name: | 2-(benzylsulfanyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C20 H16 F3 N5 O2 S |
| Smiles: | C1C(C(Nc2cccc(c2)C(F)(F)F)=O)n2c(NC1=O)nc(n2)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.529 |
| logD: | 3.5279 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.124 |
| InChI Key: | WPJLFBIJZCELDQ-HNNXBMFYSA-N |