AC1MWD7C
1-phenyl-2-(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-ylsulfanyl)ethanone
Also Known As: 1-phenyl-2-((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)ethanone|1-phenyl-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)ethanone
| Molecular Formula | C20H16N6OS2 |
|---|---|
| Molecular Weight | 420.0827 g/mol |
| LogP | 3.8405 |
| Topological Polar Surface Area | 77.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0827 |
| Monoisotopic Mass | 420.0827 |
| Heavy Atoms | 29 |
| Complexity | 1384.2988 |
Chemical Identifiers
| CAS Number | 877804-53-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=CC=C5)N6C3=NC=N6 |
Product Overview
AC1MWD7C (CAS 877804-53-0), with molecular formula C20H16N6OS2 and molecular weight 420.0827 g/mol. IUPAC: 1-phenyl-2-(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-ylsulfanyl)ethanone.
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