2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | F151-0027 |
| Compound Name: | 2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C22 H22 F N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)SC1NC(C(c2cc(C)ccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1619 |
| logD: | 3.1494 |
| logSw: | -3.4236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.723 |
| InChI Key: | YVAKPWWFFHRQEE-SFHVURJKSA-N |