AC1N2DEF
3-[(4-fluorophenyl)methylsulfanyl]-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)-hexaene
Also Known As: 7-[(4-fluorobenzyl)sulfanyl]-12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine|7-((4-fluorobenzyl)thio)-12-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C20H17FN6S2 |
|---|---|
| Molecular Weight | 424.09402 g/mol |
| LogP | 4.5429 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.09402 |
| Monoisotopic Mass | 424.09402 |
| Heavy Atoms | 29 |
| Complexity | 1367.1824 |
Chemical Identifiers
| CAS Number | 861111-76-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC=C(C=C5)F)N6C3=NC=N6 |
Product Overview
AC1N2DEF (CAS 861111-76-4), with molecular formula C20H17FN6S2 and molecular weight 424.09402 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-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)-hexaene.
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