ethyl 5-benzylidene-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3585-0320 |
| Compound Name: | ethyl 5-benzylidene-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9691 |
| logD: | 4.9451 |
| logSw: | -4.5538 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | IUYQUVGDZGRLHC-UHFFFAOYSA-N |