AC1N6IG6
2-[[4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-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-hexaen-13-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: 2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide|2-{[2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
| Molecular Formula | C26H34N4O3S3 |
|---|---|
| Molecular Weight | 546.1793 g/mol |
| LogP | 5.3985 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1793 |
| Monoisotopic Mass | 546.1793 |
| Heavy Atoms | 36 |
| Complexity | 1284.8971 |
Chemical Identifiers
| CAS Number | 861122-29-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC(=N4)SC)SCC(=O)NCC5CCCO5 |
Product Overview
AC1N6IG6 (CAS 861122-29-4), with molecular formula C26H34N4O3S3 and molecular weight 546.1793 g/mol. IUPAC: 2-[[4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-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-hexaen-13-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
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