AC1LUOCT
2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile
Also Known As: NCGC00300126-01|AB01297790-01|2-((7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetonitrile|[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile|[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio]acetonitrile
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13104 g/mol |
| LogP | 3.45828 |
| Topological Polar Surface Area | 86.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.13104 |
| Monoisotopic Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 1133.4601 |
Chemical Identifiers
| CAS Number | 674357-47-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N5C(=N4)NN=C5SCC#N |
Product Overview
AC1LUOCT (CAS 674357-47-2), with molecular formula C20H19N5OS and molecular weight 377.13104 g/mol. IUPAC: 2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclohexane]-13-yl)sulfanylacetonitrile.