ethyl 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3137 |
| Compound Name: | ethyl 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 488.36 |
| Molecular Formula: | C22 H18 Br N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc(ccc2O)[Br])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2839 |
| logD: | 2.328 |
| logSw: | -4.9537 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.844 |
| InChI Key: | DFAHSKJYZSRLEC-UHFFFAOYSA-N |