2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)butanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)butanamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)butanamide
Compound characteristics
| Compound ID: | F151-0062 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(2,5-difluorophenyl)butanamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H21 F2 N5 O3 S |
| Smiles: | CCC(C(Nc1cc(ccc1F)F)=O)SC1NC(C(c2cc(C)ccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5987 |
| logD: | 3.5783 |
| logSw: | -3.7495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.025 |
| InChI Key: | TVCBLGAHXUXQJB-SFHVURJKSA-N |