ethyl 2-(4-ethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1092 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C25 H27 N O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3214 |
| logD: | 5.2974 |
| logSw: | -5.3135 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.305 |
| InChI Key: | BKHVDPMXFUDKQA-UHFFFAOYSA-N |