13-butylsulfanylspiro[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-butylsulfanylspiro[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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CAS No:
843671-17-0
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Formula:
C21H24N4OS
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Chemical Name:
13-butylsulfanylspiro[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:
ZINC6072811;STL051185;AKOS005704427;AKOS032387605;ZINC101104993;MCULE-4914619042;843671-17-0;9-(butylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7-ol;9-(butylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
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CAS No:
13-butylsulfanylspiro[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
380.5 g/mol
380.16708258 g/mol
Computed Properties
Molecular Weight:380.5
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:380.16708258
Monoisotopic Mass:380.16708258
Topological Polar Surface Area:82.4
Heavy Atom Count:27
Complexity:735
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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