2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-phenylpropanamide
Chemical Structure Depiction of
2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-phenylpropanamide
2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-phenylpropanamide
Compound characteristics
| Compound ID: | F151-0440 |
| Compound Name: | 2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-phenylpropanamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SC(C)C(Nc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8233 |
| logD: | 2.7614 |
| logSw: | -3.6681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | AMSOCJWIMVXDSC-ZDUSSCGKSA-N |