methyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-6005 |
| Compound Name: | methyl 2-(4-ethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2cccn2C)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3794 |
| logD: | 4.3541 |
| logSw: | -4.2127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.559 |
| InChI Key: | FQTUDYMLWMBHIP-UHFFFAOYSA-N |