AC1NA1U9
2-[(9-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]-1-piperidin-1-ylethanone
Also Known As: 2-((2-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-(piperidin-1-yl)ethanone|2-[(2-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]-1-(piperidin-1-yl)ethanone
| Molecular Formula | C20H23N7OS2 |
|---|---|
| Molecular Weight | 441.14056 g/mol |
| LogP | 3.27852 |
| Topological Polar Surface Area | 80.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.14056 |
| Monoisotopic Mass | 441.14056 |
| Heavy Atoms | 30 |
| Complexity | 1281.264 |
Chemical Identifiers
| CAS Number | 849032-74-2 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC(=O)N5CCCCC5)SC6=C3CCCC6 |
Product Overview
AC1NA1U9 (CAS 849032-74-2), with molecular formula C20H23N7OS2 and molecular weight 441.14056 g/mol. IUPAC: 2-[(9-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]-1-piperidin-1-ylethanone.
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