ethyl 2-(2,4-dichloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,4-dichloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(2,4-dichloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3255 |
| Compound Name: | ethyl 2-(2,4-dichloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 421.3 |
| Molecular Formula: | C19 H14 Cl2 N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2[Cl])[Cl])SC(=C/c2cccnc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0236 |
| logD: | 2.9073 |
| logSw: | -5.2011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.937 |
| InChI Key: | QQEQRRYIOSHIHX-UHFFFAOYSA-N |