MLS000077652
2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
Also Known As: NCGC00020023-01|NCGC00020023-02|BRD-K35218009-001-09-4|2-((3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile|{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile|2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
| Molecular Formula | C23H21N3O2S |
|---|---|
| Molecular Weight | 403.13544 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.13544 |
| Monoisotopic Mass | 403.13544 |
| Heavy Atoms | 29 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 836636-32-9 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CC5=CC=CO5 |
| InChIKey | YIHTVSKKZWXLSH-UHFFFAOYSA-N |
Product Overview
MLS000077652 (CAS 836636-32-9), with molecular formula C23H21N3O2S and molecular weight 403.13544 g/mol. IUPAC: 2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile.
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