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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0444 |
| 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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 543.71 |
| Molecular Formula: | C26 H33 N5 O4 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSC3=NC(=C\c4cn(C)nc4C)\C(N3CC)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0985 |
| logD: | 2.2677 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.737 |
| InChI Key: | VSKDJCJQHCHXDR-MRXNPFEDSA-N |