ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2348 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C22 H19 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8616 |
| logD: | 4.8376 |
| logSw: | -4.6414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.776 |
| InChI Key: | FCYIJXNSGSBLTP-UHFFFAOYSA-N |