AC1NR8LR structure

AC1NR8LR

1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Also Known As: 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one|1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

CAS: 6592-47-8
Molecular Formula C22H28N8OS
Molecular Weight 452.2107 g/mol
LogP 3.3556
Topological Polar Surface Area 100.34 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 8
Exact Mass 452.2107
Monoisotopic Mass 452.2107
Heavy Atoms 32
Complexity 1185.8876

Chemical Identifiers

CAS Number 6592-47-8
SMILES CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

Product Overview

AC1NR8LR (CAS 6592-47-8), with molecular formula C22H28N8OS and molecular weight 452.2107 g/mol. IUPAC: 1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

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