AC1LYW98 structure

AC1LYW98

16-benzylsulfanyl-12-(2-methylphenyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one

Also Known As: 1-(benzylsulfanyl)-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|1-(benzylthio)-4-(o-tolyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

CAS: 372976-30-2
Molecular Formula C32H30N4OS
Molecular Weight 518.21405 g/mol
LogP 6.90592
Topological Polar Surface Area 52.19 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 518.21405
Monoisotopic Mass 518.21405
Heavy Atoms 38
Complexity 1713.3452

Chemical Identifiers

CAS Number 372976-30-2
SMILES CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC7=CC=CC=C7

Product Overview

AC1LYW98 (CAS 372976-30-2), with molecular formula C32H30N4OS and molecular weight 518.21405 g/mol. IUPAC: 16-benzylsulfanyl-12-(2-methylphenyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.

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