AC1MW19S
9-methyl-3-(2-phenylethylsulfanyl)-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: 2-methyl-7-(phenethylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine|2-methyl-7-[(2-phenylethyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C21H20N6S2 |
|---|---|
| Molecular Weight | 420.11908 g/mol |
| LogP | 4.50872 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11908 |
| Monoisotopic Mass | 420.11908 |
| Heavy Atoms | 29 |
| Complexity | 1348.0479 |
Chemical Identifiers
| CAS Number | 877792-08-0 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCCC5=CC=CC=C5)SC6=C3CCCC6 |
Product Overview
AC1MW19S (CAS 877792-08-0), with molecular formula C21H20N6S2 and molecular weight 420.11908 g/mol. IUPAC: 9-methyl-3-(2-phenylethylsulfanyl)-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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