ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5492-3983 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H19 N O5 S |
| Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C/c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2392 |
| logD: | 5.2315 |
| logSw: | -5.0856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.233 |
| InChI Key: | ZJRIDBLLOKSJBB-UHFFFAOYSA-N |