ethyl 5-{[4-(diethylamino)phenyl]methylidene}-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(diethylamino)phenyl]methylidene}-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[4-(diethylamino)phenyl]methylidene}-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0027 |
| Compound Name: | ethyl 5-{[4-(diethylamino)phenyl]methylidene}-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C(=C(Nc3ccc(cc3)[N+]([O-])=O)S2)C(=O)OCC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7186 |
| logD: | 4.3376 |
| logSw: | -5.4808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.235 |
| InChI Key: | OPMQCOTXSRMOAO-UHFFFAOYSA-N |