ethyl 5-[(2-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxyphenyl)methylidene]-2-(4-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-4437 |
| Compound Name: | ethyl 5-[(2-hydroxyphenyl)methylidene]-2-(4-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(Nc2ccc(C)cc2)SC(=C\c2ccccc2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2371 |
| logD: | 5.1948 |
| logSw: | -4.7614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.665 |
| InChI Key: | MCARNEYVTPOVOT-UHFFFAOYSA-N |