2-{[(4-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

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

Compound ID: 8009-9338
Compound Name: 2-{[(4-bromophenyl)methyl]sulfanyl}-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Molecular Weight: 416.34
Molecular Formula: C19 H18 Br N3 O S
Smiles: C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCc1ccc(cc1)[Br])=O
Stereo: RACEMIC MIXTURE
logP: 3.7219
logD: 3.7087
logSw: -3.9706
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 58.221
InChI Key: BULJGMVMRBYPEX-HNNXBMFYSA-N
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