13-[(2-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'-cyclopentane]-11-one
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![13-[(2-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'-cyclopentane]-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/195017e51e3e47d6a6d270a36582e32a.png "13-[(2-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'-cyclopentane]-11-one")
13-[(2-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'-cyclopentane]-11-one
structure -
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CAS No:
846030-98-6
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Formula:
C25H24N4OS
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Chemical Name:
13-[(2-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'-cyclopentane]-11-one
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Synonyms:
ZINC2420979;STK570836;AKOS005495743;AKOS032388357;ZINC101123467;MCULE-4933063134;846030-98-6;9-((2-methylbenzyl)thio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one;9-[(2-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol
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CAS No:
13-[(2-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'-cyclopentane]-11-one Basic Attributes
428.6 g/mol
428.16708258 g/mol
Computed Properties
Molecular Weight:428.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:428.16708258
Monoisotopic Mass:428.16708258
Topological Polar Surface Area:82.4
Heavy Atom Count:31
Complexity:856
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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