ethyl ({1-cyclohexyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-cyclohexyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
ethyl ({1-cyclohexyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y502-0332 |
| Compound Name: | ethyl ({1-cyclohexyl-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CCOC(CSC1=NC(=C\c2cn(C)nc2C)\C(N1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5457 |
| logD: | 2.5457 |
| logSw: | -2.3122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.775 |
| InChI Key: | KWFKLBANTWNUDS-UHFFFAOYSA-N |