AC1MNXDC
2-[(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]butan-1-ol
Also Known As: 2-((9-(methylthio)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)amino)butan-1-ol|2-{[9-(methylsulfanyl)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}butan-1-ol
| Molecular Formula | C20H26N4OS2 |
|---|---|
| Molecular Weight | 402.15482 g/mol |
| LogP | 4.5854 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.15482 |
| Monoisotopic Mass | 402.15482 |
| Heavy Atoms | 27 |
| Complexity | 981.41724 |
Chemical Identifiers
| CAS Number | 861122-67-0 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)NC(CC)CO |
Product Overview
AC1MNXDC (CAS 861122-67-0), with molecular formula C20H26N4OS2 and molecular weight 402.15482 g/mol. IUPAC: 2-[(14-methylsulfanyl-7-propyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]butan-1-ol.
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