methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-5997 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C22 H19 N O6 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2ccc3c(c2)OCO3)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6759 |
| logD: | 4.6519 |
| logSw: | -4.4356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.776 |
| InChI Key: | KFBGJJLUMVRVFX-UHFFFAOYSA-N |