2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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![2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/67ec4d3c49b344a5a95538ad4a270d5a.png "2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile")
2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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CAS No:
186421-39-6
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Formula:
C20H19BrN4OS
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Chemical Name:
2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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Synonyms:
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile;MLS000554398;Oprea1_475957;CHEMBL1320372;CHEBI:105313;HMS2564N24;ZINC8686691;STL325460;AKOS022133277;MCULE-7071033152;SMR000146715;Q27183034;2-(4-Bromophenacylthio)-4-amino-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile;186421-39-6;2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile;2-amino-4-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
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CAS No:
Description
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile is an aromatic ketone.
2-amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile Basic Attributes
443.4 g/mol
442.04629 g/mol
Computed Properties
Molecular Weight:443.4
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:442.04629
Monoisotopic Mass:442.04629
Topological Polar Surface Area:128
Heavy Atom Count:27
Complexity:770
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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