methyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7613 |
| Compound Name: | methyl 5-[(3-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C19 H14 N2 O6 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[N+]([O-])=O)SC(=C\c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8347 |
| logD: | 2.4537 |
| logSw: | -3.8707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.536 |
| InChI Key: | PAENLCCQAVZPIJ-UHFFFAOYSA-N |