ethyl 5-benzylidene-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-0033 |
| Compound Name: | ethyl 5-benzylidene-2-(4-chloroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 385.87 |
| Molecular Formula: | C20 H16 Cl N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5815 |
| logD: | 5.1517 |
| logSw: | -5.9986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | BJATUBBVYFZKAS-FOWTUZBSSA-N |