AC1LTWBX
12-(2-methylphenyl)-16-pentylsulfanylspiro[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-(pentylthio)-4-(o-tolyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(2-methylphenyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
CAS: 374091-58-4
| Molecular Formula | C30H34N4OS |
|---|---|
| Molecular Weight | 498.24533 g/mol |
| LogP | 6.89592 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.24533 |
| Monoisotopic Mass | 498.24533 |
| Heavy Atoms | 36 |
| Complexity | 1478.3282 |
Chemical Identifiers
| CAS Number | 374091-58-4 |
|---|---|
| SMILES | CCCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4C)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
AC1LTWBX (CAS 374091-58-4), with molecular formula C30H34N4OS and molecular weight 498.24533 g/mol. IUPAC: 12-(2-methylphenyl)-16-pentylsulfanylspiro[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.
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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