AC1LYZJB
17-butyl-13-butylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: 12-butyl-9-(butylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one|12-butyl-9-(butylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
CAS: 840472-72-2
| Molecular Formula | C26H34N4OS |
|---|---|
| Molecular Weight | 450.24533 g/mol |
| LogP | 6.0083 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.24533 |
| Monoisotopic Mass | 450.24533 |
| Heavy Atoms | 32 |
| Complexity | 1172.5189 |
Chemical Identifiers
| CAS Number | 840472-72-2 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N3C1=NN=C3SCCCC)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
AC1LYZJB (CAS 840472-72-2), with molecular formula C26H34N4OS and molecular weight 450.24533 g/mol. IUPAC: 17-butyl-13-butylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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