2-({1-(3-methoxypropyl)-4-[(1-methyl-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-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y502-0410 |
| Compound Name: | 2-({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C20 H22 N6 O5 S |
| Smiles: | Cn1cc(\C=C2/C(N(CCCOC)C(=N2)SCC(Nc2ccc(cc2)[N+]([O-])=O)=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.6447 |
| logD: | 1.6438 |
| logSw: | -2.3706 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.893 |
| InChI Key: | FIRQITZADQOLLG-UHFFFAOYSA-N |