13-propylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
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13-propylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
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CAS No:
848215-14-5
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Formula:
C21H24N4OS
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Chemical Name:
13-propylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one
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Synonyms:
ZINC8738070;STK613922;AKOS005548512;AKOS032389704;ZINC101157594;MCULE-3626771922;848215-14-5;9-(propylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7-ol;9-(propylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
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CAS No:
13-propylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-11-one Basic Attributes
380.5 g/mol
380.16708258 g/mol
Computed Properties
Molecular Weight:380.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
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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