ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0585 |
| Compound Name: | ethyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 537.66 |
| Molecular Formula: | C26 H27 N5 O4 S2 |
| Smiles: | CCN1C(=NC(=C\c2cn(C)nc2C)\C1=O)SCC(Nc1c(C(=O)OCC)c(cs1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5411 |
| logD: | 3.5342 |
| logSw: | -3.7298 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.545 |
| InChI Key: | CYFCNMIACDMMRG-UHFFFAOYSA-N |