ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7627 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C23 H21 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2482 |
| logD: | 5.2241 |
| logSw: | -5.1084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.356 |
| InChI Key: | NBSVRBKJQIHIKI-UHFFFAOYSA-N |