methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-0684 |
| Compound Name: | methyl 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(3-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C20 H16 N2 O7 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2cccc(c2)[N+]([O-])=O)SC(=C\c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6597 |
| logD: | 2.5707 |
| logSw: | -3.679 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.097 |
| InChI Key: | BXCFSONFTJORHP-UHFFFAOYSA-N |