ethyl 5-benzylidene-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0023 |
| Compound Name: | ethyl 5-benzylidene-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C20 H16 N2 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9124 |
| logD: | 3.5314 |
| logSw: | -4.55 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.499 |
| InChI Key: | HXPOBJDRRAXKDI-UHFFFAOYSA-N |