AC1NRBLL structure

AC1NRBLL

6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile

Also Known As: 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile|6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile

CAS: 7063-45-8
Molecular Formula C30H28FN5O2S2
Molecular Weight 573.1669 g/mol
LogP 4.9935
Topological Polar Surface Area 72.58 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 573.1669
Monoisotopic Mass 573.1669
Heavy Atoms 40
Complexity 1604.2181

Chemical Identifiers

CAS Number 7063-45-8
SMILES CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C(C)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N

Product Overview

AC1NRBLL (CAS 7063-45-8), with molecular formula C30H28FN5O2S2 and molecular weight 573.1669 g/mol. IUPAC: 6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile.

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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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