methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F151-0450 |
| Compound Name: | methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5526 |
| logD: | 2.3974 |
| logSw: | -3.0588 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.571 |
| InChI Key: | RWDYYHOPPDRWOZ-UHFFFAOYSA-N |