AC1MS98L
2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
Also Known As: 2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(4-methoxyphenyl)acetamide|2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide|2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C28H31N3O3S |
|---|---|
| Molecular Weight | 489.20862 g/mol |
| LogP | 5.4276 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.20862 |
| Monoisotopic Mass | 489.20862 |
| Heavy Atoms | 35 |
| Complexity | 1293.7899 |
Chemical Identifiers
| CAS Number | 836633-29-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=C(C=C5)OC |
Product Overview
AC1MS98L (CAS 836633-29-5), with molecular formula C28H31N3O3S and molecular weight 489.20862 g/mol. IUPAC: 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
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