ethyl 5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3102 |
| Compound Name: | ethyl 5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C24 H21 N O7 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc3c(cc2OC)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5061 |
| logD: | 1.5503 |
| logSw: | -4.2575 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.042 |
| InChI Key: | CWTJRBPLYILACB-UHFFFAOYSA-N |