ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-8560 |
| Compound Name: | ethyl 5-[(2-hydroxy-5-methylphenyl)methylidene]-2-(3-methylanilino)-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(Nc2cccc(C)c2)SC(=C\c2cc(C)ccc2O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5571 |
| logD: | 5.5408 |
| logSw: | -5.1151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.665 |
| InChI Key: | NUCMIRXBTVEANC-UHFFFAOYSA-N |