2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-6689 |
| Compound Name: | 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C15 H12 F3 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.314 |
| logD: | 2.2979 |
| logSw: | -2.9535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.846 |
| InChI Key: | UQWVELYYQPYSSQ-UHFFFAOYSA-N |