ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-3332 |
| Compound Name: | ethyl 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-(3-methylanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(C)c2)SC(=C\c2ccc(c(c2)[N+]([O-])=O)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1439 |
| logD: | 4.3506 |
| logSw: | -4.903 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.746 |
| InChI Key: | KXUCBELPESPBML-UHFFFAOYSA-N |