ethyl 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3135 |
| Compound Name: | ethyl 5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 478.35 |
| Molecular Formula: | C22 H17 Cl2 N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc(c(c(c2)[Cl])O)[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1002 |
| logD: | 3.1444 |
| logSw: | -5.7748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.775 |
| InChI Key: | MBAXIOPXFZTSHB-UHFFFAOYSA-N |