ethyl 2-anilino-5-benzylidene-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-benzylidene-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-benzylidene-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0009 |
| Compound Name: | ethyl 2-anilino-5-benzylidene-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C20 H17 N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.795 |
| logD: | 4.7834 |
| logSw: | -4.4574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | NKFXDAVGQGEWMF-UHFFFAOYSA-N |