2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F151-0407 |
| Compound Name: | 2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 491.49 |
| Molecular Formula: | C22 H20 F3 N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccccc1C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8293 |
| logD: | 3.7673 |
| logSw: | -3.9721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.912 |
| InChI Key: | JLEHRBNVQYEJHX-LBPRGKRZSA-N |