ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(naphthalen-1-yl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(naphthalen-1-yl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(naphthalen-1-yl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2340 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(naphthalen-1-yl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C25 H19 N O5 S |
| Smiles: | CCOC(C1=C(Nc2cccc3ccccc23)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7076 |
| logD: | 5.6509 |
| logSw: | -6.7331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.263 |
| InChI Key: | QHQHLTCPWHOYGY-UHFFFAOYSA-N |