AC1MXUGC
1-(4-methylpiperidin-1-yl)-2-[(15-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-methylpiperidin-1-yl)-2-[(12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]ethanone|2-((12-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C21H25N7OS2 |
|---|---|
| Molecular Weight | 455.1562 g/mol |
| LogP | 3.4621 |
| Topological Polar Surface Area | 80.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.1562 |
| Monoisotopic Mass | 455.1562 |
| Heavy Atoms | 31 |
| Complexity | 1297.7653 |
Chemical Identifiers
| CAS Number | 862115-90-0 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCC(C5)C)C6=NC=NN63 |
Product Overview
AC1MXUGC (CAS 862115-90-0), with molecular formula C21H25N7OS2 and molecular weight 455.1562 g/mol. IUPAC: 1-(4-methylpiperidin-1-yl)-2-[(15-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]ethanone.
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