ethyl 5-benzylidene-2-(2,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(2,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(2,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-0592 |
| Compound Name: | ethyl 5-benzylidene-2-(2,4-dimethoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2OC)OC)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9914 |
| logD: | 4.5782 |
| logSw: | -4.6206 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.593 |
| InChI Key: | WFYZOICTLQHPRS-LDADJPATSA-N |