methyl 2-(2-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(2-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V017-1627 |
| Compound Name: | methyl 2-(2-methoxyanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C19 H16 N2 O4 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccccc2OC)SC(=C\c2ccccn2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2429 |
| logD: | 2.9591 |
| logSw: | -3.6935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.013 |
| InChI Key: | VAHPRNXQCINIIW-UHFFFAOYSA-N |