methyl 4-({[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F151-0267 |
| Compound Name: | methyl 4-({[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | CC(Nc1ccccc1C1C(NC(=NN=1)SCc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2268 |
| logD: | 2.1276 |
| logSw: | -2.9 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.534 |
| InChI Key: | SOWPYKVZUQDLIX-UHFFFAOYSA-N |