ethyl 2-(4-ethoxyanilino)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-ethoxyanilino)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-ethoxyanilino)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3754-2089 |
| Compound Name: | ethyl 2-(4-ethoxyanilino)-5-{[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C26 H27 N O6 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OCC)SC(=C/c2cc(CC=C)c(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8292 |
| logD: | 5.8052 |
| logSw: | -5.3946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.35 |
| InChI Key: | CITRJMQBEJAWBS-UHFFFAOYSA-N |