methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate

Chemical Structure Depiction of
methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Available: 12 mg
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mg
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Compound characteristics

Compound ID: V022-9237
Compound Name: methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-nitroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Molecular Weight: 442.45
Molecular Formula: C21 H18 N2 O7 S
Salt: not_available
Smiles: CCOc1cc(\C=C2/C(C(=C(Nc3ccc(cc3)[N+]([O-])=O)S2)C(=O)OC)=O)ccc1O
Stereo: ACHIRAL
logP: 4.0363
logD: 2.6553
logSw: -3.8327
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 2
Polar surface area: 99.677
InChI Key: BIPSWQCHLGURDT-UHFFFAOYSA-N
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