ethyl 5-[(dimethylamino)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(dimethylamino)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(dimethylamino)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0030 |
| Compound Name: | ethyl 5-[(dimethylamino)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C16 H17 N3 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/N(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6076 |
| logD: | 1.9008 |
| logSw: | -3.0607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.268 |
| InChI Key: | DMSIIFIHBRVRGG-UHFFFAOYSA-N |