ethyl 2-(2-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-7217 |
| Compound Name: | ethyl 2-(2-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccccc2C)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8569 |
| logD: | 3.8328 |
| logSw: | -3.8527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.962 |
| InChI Key: | XOCATSUSPFVUTE-UHFFFAOYSA-N |