12-(2-phenylethyl)-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-(2-phenylethyl)-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/20220812/74053b7bd6e2482e874dee837922a539.png "12-(2-phenylethyl)-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-(2-phenylethyl)-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:
337488-31-0
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Formula:
C26H26N4OS
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Chemical Name:
12-(2-phenylethyl)-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:
Oprea1_503821;Oprea1_556468;ZINC2275403;STK804979;AKOS000547305;MCULE-5540437128;ST50250801;337488-31-0;4-(2-phenylethyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one;4-(2-phenylethyl)-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-(2-phenylethyl)-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
442.6 g/mol
442.18273264 g/mol
Computed Properties
Molecular Weight:442.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:442.18273264
Monoisotopic Mass:442.18273264
Topological Polar Surface Area:80
Heavy Atom Count:32
Complexity:852
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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