AC1M2S28
17-(2-methylpropyl)-13-(2-methylpropylsulfanyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one
Also Known As: 12-isobutyl-9-(isobutylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one|12-(2-methylpropyl)-9-[(2-methylpropyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
| Molecular Formula | C25H32N4OS |
|---|---|
| Molecular Weight | 436.22968 g/mol |
| LogP | 5.33 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.22968 |
| Monoisotopic Mass | 436.22968 |
| Heavy Atoms | 31 |
| Complexity | 1184.1855 |
Chemical Identifiers
| CAS Number | 718601-16-2 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N3C1=NN=C3SCC(C)C)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
AC1M2S28 (CAS 718601-16-2), with molecular formula C25H32N4OS and molecular weight 436.22968 g/mol. IUPAC: 17-(2-methylpropyl)-13-(2-methylpropylsulfanyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-11-one.
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