ethyl 5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3101 |
| Compound Name: | ethyl 5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 492.38 |
| Molecular Formula: | C23 H19 Cl2 N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc(cc(c2OC)[Cl])[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0264 |
| logD: | 3.0706 |
| logSw: | -6.1764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.013 |
| InChI Key: | NNIRUSRERBFHJY-UHFFFAOYSA-N |