ethyl 5-[(4-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2926 |
| Compound Name: | ethyl 5-[(4-hydroxyphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C\c2ccc(cc2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7226 |
| logD: | 4.715 |
| logSw: | -4.3763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.734 |
| InChI Key: | QNJIDVAHSLXXTD-UHFFFAOYSA-N |