methyl 5-benzylidene-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-benzylidene-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-benzylidene-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-7227 |
| Compound Name: | methyl 5-benzylidene-2-(4-ethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C21 H19 N O4 S |
| Smiles: | CCOc1ccc(cc1)NC1=C(C(/C(=C\c2ccccc2)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7834 |
| logD: | 4.7594 |
| logSw: | -4.4245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | POQOCARRMZXWJI-GHRIWEEISA-N |