methyl 2-(2-ethylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-ethylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(2-ethylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V013-0152 |
| Compound Name: | methyl 2-(2-ethylanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | CCc1ccccc1NC1=C(C(/C(=C\c2ccc(cc2)[N+]([O-])=O)S1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0948 |
| logD: | 5.0876 |
| logSw: | -4.8657 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.221 |
| InChI Key: | NHNHCOAIBNYOSD-UHFFFAOYSA-N |