ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0601 |
| Compound Name: | ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 537.66 |
| Molecular Formula: | C26 H27 N5 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSC1=NC(=C\c2cn(C)nc2C)\C(N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3663 |
| logD: | 1.5854 |
| logSw: | -3.559 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.209 |
| InChI Key: | XCPZZHQHLVUADW-UHFFFAOYSA-N |