2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide
Chemical Structure Depiction of
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide
2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | J041-0061 |
| Compound Name: | 2-{[6-(2-acetamido-3-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C21 H20 F N5 O3 S |
| Smiles: | CC(C(Nc1ccc(cc1)F)=O)SC1NC(C(c2cccc(C)c2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4259 |
| logD: | 2.4134 |
| logSw: | -2.8969 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.025 |
| InChI Key: | XOAOOJNSQHSVMC-LBPRGKRZSA-N |