ethyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4767-1272 |
| Compound Name: | ethyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C29 H35 N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C\c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9697 |
| logD: | 7.9545 |
| logSw: | -5.5304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.596 |
| InChI Key: | NBTXIDIMDIPRDO-UHFFFAOYSA-N |