ethyl 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3074 |
| Compound Name: | ethyl 2-anilino-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C21 H18 Br N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(c(c2)[Br])OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1457 |
| logD: | 5.1341 |
| logSw: | -5.0697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.748 |
| InChI Key: | USUHBKCRNOZQDH-UHFFFAOYSA-N |