methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-9777 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-[4-(trifluoromethyl)anilino]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 449.4 |
| Molecular Formula: | C21 H14 F3 N O5 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)C(F)(F)F)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1797 |
| logD: | 5.1644 |
| logSw: | -5.1755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.653 |
| InChI Key: | URBJGOVHMKKZLF-UHFFFAOYSA-N |