12-(3-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-(3-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/20220811/3e96e39743ac425b99db013d34f47d5d.png "12-(3-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-(3-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:
372501-96-7
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Formula:
C25H24N4OS
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Chemical Name:
12-(3-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:
ZINC2277597;STK767686;STL559693;AKOS001730608;AKOS037516716;MCULE-6625464111;SR-01000537842;SR-01000537842-1;1-mercapto-4-(3-methylphenyl)-4{H}-spiro[benzo[{h}][1,2,4]triazolo[4,3-{a}]quinazoline-6,1'-cyclohexan]-5(7{H})-one;372501-96-7;4-(3-methylphenyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one;4-(3-methylphenyl)-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
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CAS No:
12-(3-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:858
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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