AC1NIQRS
4-benzyl-5-(4-ethylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-benzyl-2-(4-ethylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one|3-benzyl-2-(4-ethylpiperazin-1-yl)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
CAS: 896596-35-3
| Molecular Formula | C24H30N4OS |
|---|---|
| Molecular Weight | 422.21402 g/mol |
| LogP | 3.9171 |
| Topological Polar Surface Area | 41.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.21402 |
| Monoisotopic Mass | 422.21402 |
| Heavy Atoms | 30 |
| Complexity | 1080.0193 |
Chemical Identifiers
| CAS Number | 896596-35-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC5=CC=CC=C5 |
Product Overview
AC1NIQRS (CAS 896596-35-3), with molecular formula C24H30N4OS and molecular weight 422.21402 g/mol. IUPAC: 4-benzyl-5-(4-ethylpiperazin-1-yl)-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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