ethyl 5-[(4-chlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-chlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-chlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0025 |
| Compound Name: | ethyl 5-[(4-chlorophenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 430.86 |
| Molecular Formula: | C20 H15 Cl N2 O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C/c2ccc(cc2)[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5028 |
| logD: | 4.1218 |
| logSw: | -6.1562 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.499 |
| InChI Key: | QHRWKKWMZVPWQO-UHFFFAOYSA-N |