ethyl 5-[(3,4-dichlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3,4-dichlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3,4-dichlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0189 |
| Compound Name: | ethyl 5-[(3,4-dichlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 465.31 |
| Molecular Formula: | C20 H14 Cl2 N2 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccc(c(c2)[Cl])[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3114 |
| logD: | 4.9304 |
| logSw: | -6.3748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.499 |
| InChI Key: | FVBSHLIHKBNQQT-UHFFFAOYSA-N |