ethyl 2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0024 |
| Compound Name: | ethyl 2-(4-nitroanilino)-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 441.42 |
| Molecular Formula: | C20 H15 N3 O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2cccc(c2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7165 |
| logD: | 3.3354 |
| logSw: | -4.4746 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.88 |
| InChI Key: | BJDDSGBDVXQNHH-UHFFFAOYSA-N |