AC1NE6N0
5-(3,5-dibromo-2,4-dihydroxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-(3,5-dibromo-2,4-dihydroxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
CAS: 489442-91-3
| Molecular Formula | C16H15Br2N3O3S |
|---|---|
| Molecular Weight | 486.9201 g/mol |
| LogP | 3.5263 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 486.9201 |
| Monoisotopic Mass | 488.91803 |
| Heavy Atoms | 25 |
| Complexity | 899.4806 |
Chemical Identifiers
| CAS Number | 489442-91-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4O)Br)O)Br |
Product Overview
AC1NE6N0 (CAS 489442-91-3), with molecular formula C16H15Br2N3O3S and molecular weight 486.9201 g/mol. IUPAC: 5-(3,5-dibromo-2,4-dihydroxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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