AC1LJ4ES
2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile
Also Known As: Oprea1_662433|Oprea1_742571|BAS 08139169|2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile|[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile|2-(4-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl)piperazinyl)eth anenitrile|2-(4-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)acetonitrile
| Molecular Formula | C16H19N5S |
|---|---|
| Molecular Weight | 313.1361 g/mol |
| LogP | 2.21568 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1361 |
| Monoisotopic Mass | 313.1361 |
| Heavy Atoms | 22 |
| Complexity | 723.9468 |
Chemical Identifiers
| CAS Number | 683797-08-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCN(CC4)CC#N |
Product Overview
AC1LJ4ES (CAS 683797-08-2), with molecular formula C16H19N5S and molecular weight 313.1361 g/mol. IUPAC: 2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetonitrile.
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