methyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0440 |
| Compound Name: | methyl 2-[2-({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C23 H27 N5 O4 S2 |
| Smiles: | CCN1C(=NC(=C\c2cn(C)nc2C)\C1=O)SCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7368 |
| logD: | 0.906 |
| logSw: | -3.0954 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.158 |
| InChI Key: | WRGVCPXSRIHQBW-UHFFFAOYSA-N |