ethyl 5-benzylidene-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2863 |
| Compound Name: | ethyl 5-benzylidene-2-(3-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)OC)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0532 |
| logD: | 4.9539 |
| logSw: | -4.6765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | VSXXLQXEDOQPLW-UHFFFAOYSA-N |