methyl 2-(4-ethoxyanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-ethoxyanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-9753 |
| Compound Name: | methyl 2-(4-ethoxyanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C20 H18 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2cccnc2)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6191 |
| logD: | 3.595 |
| logSw: | -3.5323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.179 |
| InChI Key: | YBJPMLTUZQPLFO-UHFFFAOYSA-N |