2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile
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![2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d8acfb7575164ec5bca04c7489f0b0cc.png "2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile")
2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile
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CAS No:
674357-47-2
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Formula:
C20H19N5OS
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Chemical Name:
2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile
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Synonyms:
MLS000778349;CHEMBL1502727;HMS2758M09;STL046290;AKOS001524825;AKOS030522301;ZINC101034790;MCULE-2167996074;NCGC00300126-01;SMR000415143;AB01297790-01;[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile;[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio]acetonitrile;2-((7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetonitrile;674357-47-2
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CAS No:
2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile Basic Attributes
377.5 g/mol
377.13103142 g/mol
Computed Properties
Molecular Weight:377.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:377.13103142
Monoisotopic Mass:377.13103142
Topological Polar Surface Area:106
Heavy Atom Count:27
Complexity:814
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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