methyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-3002 |
| Compound Name: | methyl 2-(4-chloroanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C18 H13 Cl N2 O3 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8251 |
| logD: | 3.3382 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.08 |
| InChI Key: | ZLZFHHMATQOTLU-UHFFFAOYSA-N |