AC1M2S28 structure

AC1M2S28

17-(2-methylpropyl)-13-(2-methylpropylsulfanyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one

Also Known As: 12-isobutyl-9-(isobutylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one|12-(2-methylpropyl)-9-[(2-methylpropyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one

CAS: 718601-16-2
Molecular Formula C25H32N4OS
Molecular Weight 436.22968 g/mol
LogP 5.33
Topological Polar Surface Area 52.19 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 436.22968
Monoisotopic Mass 436.22968
Heavy Atoms 31
Complexity 1184.1855

Chemical Identifiers

CAS Number 718601-16-2
SMILES CC(C)CN1C2=C(C(=O)N3C1=NN=C3SCC(C)C)C4(CCCC4)CC5=CC=CC=C52

Product Overview

AC1M2S28 (CAS 718601-16-2), with molecular formula C25H32N4OS and molecular weight 436.22968 g/mol. IUPAC: 17-(2-methylpropyl)-13-(2-methylpropylsulfanyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one.

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