methyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0856 |
| Compound Name: | methyl 2-(4-methylanilino)-4-oxo-5-[(pyridin-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C19 H16 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(/C(=C\c2ccccn2)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6537 |
| logD: | 3.6352 |
| logSw: | -3.9238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.08 |
| InChI Key: | YTTDUJYKSJKTJA-UHFFFAOYSA-N |