2-({1-ethyl-4-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({1-ethyl-4-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
2-({1-ethyl-4-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y501-9750 |
| Compound Name: | 2-({1-ethyl-4-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C19 H20 N6 O4 S |
| Smiles: | CCN1C(=NC(=C\c2cnn(CC)c2)\C1=O)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1757 |
| logD: | 2.1748 |
| logSw: | -2.5962 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.99 |
| InChI Key: | HZOTYHBRFKBJOK-UHFFFAOYSA-N |