methyl 2-(2-methoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-methoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(2-methoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V002-1033 |
| Compound Name: | methyl 2-(2-methoxyanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C20 H16 N2 O6 S |
| Smiles: | COC(C1=C(Nc2ccccc2OC)SC(=C\c2ccc(cc2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3483 |
| logD: | 4.1045 |
| logSw: | -4.4654 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.851 |
| InChI Key: | ZONFCUUPHKDTAC-UHFFFAOYSA-N |