ethyl 2-(3,4-dichloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dichloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,4-dichloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3343 |
| Compound Name: | ethyl 2-(3,4-dichloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 450.34 |
| Molecular Formula: | C21 H17 Cl2 N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)[Cl])[Cl])SC(=C/c2ccc(cc2)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4391 |
| logD: | 4.3289 |
| logSw: | -6.4396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | DVINIXWFKIAAIF-UHFFFAOYSA-N |