methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-9269 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(2-ethylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H19 N O5 S |
| Smiles: | CCc1ccccc1NC1=C(C(/C(=C\c2ccc3c(c2)OCO3)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0659 |
| logD: | 5.0587 |
| logSw: | -4.7112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.955 |
| InChI Key: | CPTLUTVGHAUYFP-UHFFFAOYSA-N |