ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0009 |
| Compound Name: | ethyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-3-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 386.85 |
| Molecular Formula: | C19 H15 Cl N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2cccnc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4171 |
| logD: | 3.9874 |
| logSw: | -4.5738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.635 |
| InChI Key: | TZRVSEQGVZEDQY-UHFFFAOYSA-N |