ethyl 2-anilino-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0016 |
| Compound Name: | ethyl 2-anilino-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 395.43 |
| Molecular Formula: | C21 H17 N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6875 |
| logD: | 4.6759 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.233 |
| InChI Key: | IIABLAMILDIEAR-UHFFFAOYSA-N |