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3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate

Chemical Structure Depiction of
3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Available: 100 mg
Amount:
mg
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Compound characteristics

Compound ID: K786-1530
Compound Name: 3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Molecular Weight: 506.31
Molecular Formula: C20 H13 Br F N3 O5 S
Smiles: C(C(Nc1ccc(cc1F)[Br])=O)Sc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O
Stereo: ACHIRAL
logP: 4.5445
logD: 4.5369
logSw: -4.5853
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 85.357
InChI Key: BIGXRVUCGJDDGZ-UHFFFAOYSA-N
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