3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile
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![3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ebfa82e3c8194e99be427981abe754d2.png "3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile")
3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile
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CAS No:
733794-65-5
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Formula:
C25H23N7O
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Chemical Name:
3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile
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Synonyms:
HMS1729B05;ZINC3335100;AKOS034445743;MCULE-3501991190;SR-01000044853;SR-01000044853-1;Z55516559;3-methyl-13-(4-methylphenyl)-12-oxo-7-(piperidin-1-yl)-2,4,6,13,15-pentaazatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1(16),2,5,7,9,14-hexaene-8-carbonitrile;733794-65-5
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CAS No:
3-methyl-13-(4-methylphenyl)-12-oxo-7-piperidin-1-yl-2,4,6,13,15-pentazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),3,5,7,9,14-hexaene-8-carbonitrile Basic Attributes
437.5 g/mol
437.19640838 g/mol
Computed Properties
Molecular Weight:437.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:437.19640838
Monoisotopic Mass:437.19640838
Topological Polar Surface Area:97.5
Heavy Atom Count:33
Complexity:852
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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