ethyl 2-(4-ethoxyanilino)-5-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-1286 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-({3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H25 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C/c2ccc(c(c2)OC)OCC#C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1559 |
| logD: | 5.1319 |
| logSw: | -5.1025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.376 |
| InChI Key: | IODSEAMGMBLNMQ-UHFFFAOYSA-N |