ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Chemical Structure Depiction of
ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Available: 69 mg
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mg
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Compound characteristics

Compound ID: 8009-5419
Compound Name: ethyl 2-[(6-bromo-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Molecular Weight: 560.51
Molecular Formula: C27 H30 Br N O5 S
Smiles: CCOC(c1c2CCCCCCCCCCc2sc1NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)=O
Stereo: ACHIRAL
logP: 7.7112
logD: 2.7687
logSw: -5.8148
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 65.051
InChI Key: PXUMAKIKAQMTCI-UHFFFAOYSA-N
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