AC1LYOQE
1-(4-chlorophenyl)-2-[(7-ethylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((5-(ethylthio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone|1-(4-chlorophenyl)-2-{[5-(ethylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
| Molecular Formula | C21H19ClN4OS3 |
|---|---|
| Molecular Weight | 474.04095 g/mol |
| LogP | 5.9582 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.04095 |
| Monoisotopic Mass | 474.04095 |
| Heavy Atoms | 30 |
| Complexity | 1249.0891 |
Chemical Identifiers
| CAS Number | 489405-55-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
AC1LYOQE (CAS 489405-55-2), with molecular formula C21H19ClN4OS3 and molecular weight 474.04095 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(7-ethylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone.
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