AC1LXJQH
5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-((3-(dimethylamino)propyl)amino)-3-(furan-2-ylmethyl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|2-{[3-(dimethylamino)propyl]amino}-3-(furan-2-ylmethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
CAS: 896830-16-3
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.1933 g/mol |
| LogP | 3.7318 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1933 |
| Monoisotopic Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 988.1623 |
Chemical Identifiers
| CAS Number | 896830-16-3 |
|---|---|
| SMILES | CN(C)CCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CO4 |
Product Overview
AC1LXJQH (CAS 896830-16-3), with molecular formula C21H28N4O2S and molecular weight 400.1933 g/mol. IUPAC: 5-[3-(dimethylamino)propylamino]-4-(furan-2-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-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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