ethyl 2-(4-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5492-3933 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7589 |
| logD: | 4.3291 |
| logSw: | -4.7371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | UMIOIJOESCGHHD-UHFFFAOYSA-N |