ethyl 2-(3,5-dimethylanilino)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,5-dimethylanilino)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3,5-dimethylanilino)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V018-4620 |
| Compound Name: | ethyl 2-(3,5-dimethylanilino)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C22 H21 N O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cc(C)cc(C)c2)SC(=C\c2ccccc2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5067 |
| logD: | 5.4644 |
| logSw: | -5.1624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.665 |
| InChI Key: | PMAXPJOWNOTYJG-UHFFFAOYSA-N |