ethyl 5-{[4-ethoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-ethoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-ethoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3133 |
| Compound Name: | ethyl 5-{[4-ethoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C28 H31 N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2cc(C(C)C)c(cc2C)OCC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6487 |
| logD: | 3.6929 |
| logSw: | -5.5388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.506 |
| InChI Key: | ZUICLZMSECHFKB-UHFFFAOYSA-N |