AC1LXNUW structure

AC1LXNUW

ethyl 4-(13-benzyl-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaen-8-yl)piperazine-1-carboxylate

Also Known As: ethyl 4-(8-benzyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate

CAS: 896809-10-2
Molecular Formula C23H26N8O2S
Molecular Weight 478.18994 g/mol
LogP 2.5708
Topological Polar Surface Area 91.99 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
Rotatable Bonds 4
Exact Mass 478.18994
Monoisotopic Mass 478.18994
Heavy Atoms 34
Complexity 1329.2535

Chemical Identifiers

CAS Number 896809-10-2
SMILES CCOC(=O)N1CCN(CC1)C2=NC3=NN=NN3C4=C2C5=C(S4)CN(CC5)CC6=CC=CC=C6

Product Overview

AC1LXNUW (CAS 896809-10-2), with molecular formula C23H26N8O2S and molecular weight 478.18994 g/mol. IUPAC: ethyl 4-(13-benzyl-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaen-8-yl)piperazine-1-carboxylate.

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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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