ethyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3585-0307 |
| Compound Name: | ethyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(C)cc2)SC(=C/c2cccnc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2458 |
| logD: | 4.2306 |
| logSw: | -3.8362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.635 |
| InChI Key: | HSURQNIXGHCVFQ-UHFFFAOYSA-N |