ethyl 2-(4-ethoxyanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-5962 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8503 |
| logD: | 4.8262 |
| logSw: | -4.2334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.858 |
| InChI Key: | FZDIMNFAMICMOE-UHFFFAOYSA-N |