methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamido)benzoate
methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamido)benzoate
Compound characteristics
| Compound ID: | F151-0309 |
| Compound Name: | methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamido)benzoate |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OC)=O)SC1NC(C(c2ccccc2NC(C)=O)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9726 |
| logD: | 2.9107 |
| logSw: | -3.5441 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.896 |
| InChI Key: | SFZMIYMKYFTSEG-SFHVURJKSA-N |