AC1LYIQT
12-(2-phenylethyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
Also Known As: Oprea1_503821|Oprea1_556468|BAS 01312939|1-mercapto-4-phenethyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(2-phenylethyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(2-phenylethyl)-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4, 3-a]quinazoline-6,1'-cyclohexane]-5-one
| Molecular Formula | C26H26N4OS |
|---|---|
| Molecular Weight | 442.18274 g/mol |
| LogP | 5.22129 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.18274 |
| Monoisotopic Mass | 442.18274 |
| Heavy Atoms | 32 |
| Complexity | 1423.9819 |
Chemical Identifiers
| CAS Number | 337488-31-0 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NNC(=S)N45)CCC6=CC=CC=C6 |
Product Overview
AC1LYIQT (CAS 337488-31-0), with molecular formula C26H26N4OS and molecular weight 442.18274 g/mol. IUPAC: 12-(2-phenylethyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.
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