2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y502-0322 |
| Compound Name: | 2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C21 H24 N6 O4 S |
| Smiles: | CC(C)CN1C(=NC(=C\c2cn(C)nc2C)\C1=O)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8943 |
| logD: | 2.8934 |
| logSw: | -3.3982 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.925 |
| InChI Key: | LCMFWHDPCDYUHD-UHFFFAOYSA-N |