5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile
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![5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/90f0f435536a48a581ae2aa5fb9f8aa6.png "5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile")
5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile
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CAS No:
200881-52-3
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Formula:
C20H21N5O2
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Chemical Name:
5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile
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Synonyms:
NSC697701;CHEMBL2000929;STL234804;AKOS025274601;MCULE-2947635858;NSC-697701;3-Imino-1,1-dimethoxy-4-phenyl-2,3,5,6,7,8-hexahydrocyclopenta[b]pyrrolo[3,4-d]pyridine-3a,8b(1H,4H)-dicarbonitrile;NCI60_034872;ST007908;10-amino-12,12-dimethoxy-8-phenyl-7,11-diazatricyclo[7.3.0.0<2,6>]dodeca-2(6), 10-diene-1,9-dicarbonitrile;200881-52-3;3-amino-1,1-dimethoxy-4-phenyl-5,6,7,8-tetrahydrocyclopenta[b]pyrrolo[3,4-d]pyridine-3a,8b(1H,4H)-dicarbonitrile;3-imino-1,1-dimethoxy-4-phenyl-2,4,5,6,7,8-hexahydrocyclopenta[[?]]pyrrolo[[?]]pyridine-3a,8b-dicarbonitrile
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CAS No:
5-amino-3,3-dimethoxy-7-phenyl-4,8-diazatricyclo[7.3.0.02,6]dodeca-1(9),4-diene-2,6-dicarbonitrile Basic Attributes
363.4 g/mol
363.16952493 g/mol
697701
Computed Properties
Molecular Weight:363.4
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:363.16952493
Monoisotopic Mass:363.16952493
Topological Polar Surface Area:116
Heavy Atom Count:27
Complexity:805
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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