12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
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![12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2a0df2c5c6994407b174d38b5a459e7a.png "12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one")
12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
structure -
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CAS No:
337488-18-3
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Formula:
C25H24N4OS
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Chemical Name:
12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
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Synonyms:
CBMicro_038178;Oprea1_643221;ZINC2272754;STK804977;AKOS000547205;MCULE-9417771865;BIM-0038225.P001;ST50250797;337488-18-3;4-(4-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one;4-(4-methylphenyl)-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4 ,3-a]quinazoline-6,1'-cyclohexane]-5-one
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CAS No:
12-(4-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one Basic Attributes
428.6 g/mol
428.16708258 g/mol
Computed Properties
Molecular Weight:428.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:428.16708258
Monoisotopic Mass:428.16708258
Topological Polar Surface Area:80
Heavy Atom Count:31
Complexity:850
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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