12-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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/d986f813922240ebb990fc6e7d762d02.png "12-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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:
372497-07-9
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Formula:
C26H26N4O2S
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Chemical Name:
12-[(4-methoxyphenyl)methyl]-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_271981;ZINC2277246;STK722660;AKOS003605550;MCULE-6793976100;372497-07-9;4-(4-methoxybenzyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
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CAS No:
12-[(4-methoxyphenyl)methyl]-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
458.6 g/mol
458.17764726 g/mol
Computed Properties
Molecular Weight:458.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:458.17764726
Monoisotopic Mass:458.17764726
Topological Polar Surface Area:89.3
Heavy Atom Count:33
Complexity:885
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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