ethyl 2-(2,4-dimethoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,4-dimethoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2,4-dimethoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V003-4298 |
| Compound Name: | ethyl 2-(2,4-dimethoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2OC)OC)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8073 |
| logD: | 3.3382 |
| logSw: | -3.9747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.137 |
| InChI Key: | HCBIVWMCANCRJD-UHFFFAOYSA-N |