N-(2,4-dichlorophenyl)-2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
N-(2,4-dichlorophenyl)-2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y502-0434 |
| Compound Name: | N-(2,4-dichlorophenyl)-2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 496.41 |
| Molecular Formula: | C21 H23 Cl2 N5 O3 S |
| Smiles: | Cc1c(\C=C2/C(N(CCCOC)C(=N2)SCC(Nc2ccc(cc2[Cl])[Cl])=O)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8633 |
| logD: | 2.8583 |
| logSw: | -3.4489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.167 |
| InChI Key: | HRPIFDCTUHMZTA-UHFFFAOYSA-N |