AC1M1E22
3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-18-thia-2,4,5,7,8,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene
Also Known As: 7-((4-isopropoxybenzyl)thio)-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine|7-{[4-(propan-2-yloxy)benzyl]sulfanyl}-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C21H20N6OS2 |
|---|---|
| Molecular Weight | 436.114 g/mol |
| LogP | 4.5549 |
| Topological Polar Surface Area | 69.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.114 |
| Monoisotopic Mass | 436.114 |
| Heavy Atoms | 30 |
| Complexity | 1382.0691 |
Chemical Identifiers
| CAS Number | 849017-77-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CSC2=NN=C3N2C4=C(C5=C(S4)CCC5)C6=NC=NN63 |
Product Overview
AC1M1E22 (CAS 849017-77-2), with molecular formula C21H20N6OS2 and molecular weight 436.114 g/mol. IUPAC: 3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-18-thia-2,4,5,7,8,10-hexazapentacyclo[10.6.0.02,6.07,11.013,17]octadeca-1(12),3,5,8,10,13(17)-hexaene.
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