4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

Chemical Structure Depiction of
4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Available: 11 mg
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mg
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Compound characteristics

Compound ID: 8009-8233
Compound Name: 4-oxo-2-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Molecular Weight: 433.48
Molecular Formula: C23 H19 N3 O4 S
Smiles: C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCC(C1=Cc2ccccc2OC1=O)=O)=O
Stereo: RACEMIC MIXTURE
logP: 2.5745
logD: 2.5557
logSw: -3.0274
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 1
Polar surface area: 92.389
InChI Key: TXRGIHKXYQWHIL-INIZCTEOSA-N
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