2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C656-0335 |
| Compound Name: | 2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 444.37 |
| Molecular Formula: | C20 H15 F3 N6 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(Nc3ccc(cc3)OC(F)(F)F)=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.5079 |
| logD: | 3.5079 |
| logSw: | -3.703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.244 |
| InChI Key: | LHWSSKIVEVBZLB-UHFFFAOYSA-N |