2-({1-cyclopropyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({1-cyclopropyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({1-cyclopropyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y502-4289 |
| Compound Name: | 2-({1-cyclopropyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C20 H20 N6 O4 S |
| Smiles: | Cc1c(/C=C2/C(N(C3CC3)C(=N2)SCC(Nc2cccc(c2)[N+]([O-])=O)=O)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2371 |
| logD: | 2.2367 |
| logSw: | -2.8194 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.207 |
| InChI Key: | RKSBDJVVQSRQGH-UHFFFAOYSA-N |