ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V005-9950 |
| Compound Name: | ethyl 5-[(4-hydroxy-2-methoxyphenyl)methylidene]-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)OC)SC(=C\c2ccc(cc2OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7006 |
| logD: | 4.6014 |
| logSw: | -4.4171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.908 |
| InChI Key: | PPXKYJXZOAYQIJ-UHFFFAOYSA-N |