13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
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![13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dbf59b48284f4fca962522fe31770bfa.png "13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one")
13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
structure -
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CAS No:
846595-03-7
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Formula:
C26H26N4OS
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Chemical Name:
13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
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Synonyms:
ZINC8769027;STK602950;AKOS005539455;AKOS032388661;ZINC101132040;MCULE-2994532758;846595-03-7;9-((3-methylbenzyl)thio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one;9-[(3-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7-ol
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CAS No:
13-[(3-methylphenyl)methylsulfanyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one Basic Attributes
442.6 g/mol
442.18273264 g/mol
Computed Properties
Molecular Weight:442.6
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:442.18273264
Monoisotopic Mass:442.18273264
Topological Polar Surface Area:82.4
Heavy Atom Count:32
Complexity:871
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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