AC1MJ1E1
12-(2,2-dimethyloxan-4-yl)-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_165706|Oprea1_463699|BAS 01312889|AJ-292/13093118|4-(2,2-dimethyl(2H-3,4,5,6-tetrahydropyran-4-yl))-1-sulfanylspiro[4,6,7,12-tet rahydrobenzo[h]1,2,4-triazolo[4,3-a]quinazoline-6,1'-cyclohexane]-5-one|4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-mercapto-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one|4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-sulfanyl-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentane)-5(4H)-one
| Molecular Formula | C25H30N4O2S |
|---|---|
| Molecular Weight | 450.20895 g/mol |
| LogP | 5.10869 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.20895 |
| Monoisotopic Mass | 450.20895 |
| Heavy Atoms | 32 |
| Complexity | 1325.9409 |
Chemical Identifiers
| CAS Number | 337487-85-1 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S)C |
Product Overview
AC1MJ1E1 (CAS 337487-85-1), with molecular formula C25H30N4O2S and molecular weight 450.20895 g/mol. IUPAC: 12-(2,2-dimethyloxan-4-yl)-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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