ethyl 2-anilino-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3094 |
| Compound Name: | ethyl 2-anilino-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 429.88 |
| Molecular Formula: | C21 H16 Cl N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2cc3c(cc2[Cl])OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2613 |
| logD: | 5.2497 |
| logSw: | -5.7824 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.233 |
| InChI Key: | JQTSPVLWPOICJS-UHFFFAOYSA-N |