AC1NAE7K
13-heptylsulfanyl-4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 8-(heptylsulfanyl)-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-(heptylthio)-2,2-dimethyl-10-(methylthio)-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS: 847159-43-7
| Molecular Formula | C26H36N4O2S3 |
|---|---|
| Molecular Weight | 532.2 g/mol |
| LogP | 6.7118 |
| Topological Polar Surface Area | 60.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.2 |
| Monoisotopic Mass | 532.2 |
| Heavy Atoms | 35 |
| Complexity | 1190.753 |
Chemical Identifiers
| CAS Number | 847159-43-7 |
|---|---|
| SMILES | CCCCCCCSC1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)SC |
Product Overview
AC1NAE7K (CAS 847159-43-7), with molecular formula C26H36N4O2S3 and molecular weight 532.2 g/mol. IUPAC: 13-heptylsulfanyl-4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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