ethyl 6-ethyl-2-[2-({1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[2-({1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[2-({1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-0459 |
| Compound Name: | ethyl 6-ethyl-2-[2-({1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 573.8 |
| Molecular Formula: | C28 H35 N3 O4 S3 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSC3=NC(=C\c4ccc(C)s4)\C(N3CC(C)C)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0235 |
| logD: | 5.1928 |
| logSw: | -5.7952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.869 |
| InChI Key: | GWOAOQWJODUBIF-GOSISDBHSA-N |