ethyl 5-benzylidene-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-2872 |
| Compound Name: | ethyl 5-benzylidene-4-oxo-2-[3-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 419.42 |
| Molecular Formula: | C21 H16 F3 N O3 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)C(F)(F)F)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 5.1343 |
| logSw: | -5.6283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | SHBFCLMVOFDFPX-LFIBNONCSA-N |