N-(4-methylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
N-(4-methylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | J041-0230 |
| Compound Name: | N-(4-methylphenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SC(C)C(Nc1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6894 |
| logD: | 3.6769 |
| logSw: | -3.828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.61 |
| InChI Key: | WMQFPBIXKQMKLI-HNNXBMFYSA-N |