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
| 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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