ethyl 2-(4-nitroanilino)-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitroanilino)-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-nitroanilino)-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0033 |
| Compound Name: | ethyl 2-(4-nitroanilino)-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C18 H14 N2 O5 S2 |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2cccs2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5891 |
| logD: | 3.1858 |
| logSw: | -4.3178 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.517 |
| InChI Key: | RZUCKJSHIJOXMB-UHFFFAOYSA-N |