ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-5223 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methoxybenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C23 H19 N O7 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(cc2)OC)=O)SC(=C/c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.141 |
| logD: | 1.5887 |
| logSw: | -4.3146 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.955 |
| InChI Key: | NFGIQCPIAFETMV-UHFFFAOYSA-N |