ethyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7638 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2cccn2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9517 |
| logD: | 4.9264 |
| logSw: | -4.4195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.139 |
| InChI Key: | XGKCUTOSSZHIOU-UHFFFAOYSA-N |