2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F151-0033 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-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: | CC(C(Nc1ccccc1C(F)(F)F)=O)SC1NC(C(c2cc(C)ccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.43 |
| logD: | 3.4174 |
| logSw: | -3.8931 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.025 |
| InChI Key: | IARFCHWTBMJILI-LBPRGKRZSA-N |