AC1NRD5I structure

AC1NRD5I

5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile

Also Known As: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile|5-[(3-Cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

CAS: 7063-92-5
Molecular Formula C28H30FN5O2S2
Molecular Weight 551.1825 g/mol
LogP 4.6578
Topological Polar Surface Area 72.58 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 551.1825
Monoisotopic Mass 551.1825
Heavy Atoms 38
Complexity 1398.2931

Chemical Identifiers

CAS Number 7063-92-5
SMILES CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C3CCCC3)N4CCN(CC4)C5=CC=C(C=C5)F

Product Overview

AC1NRD5I (CAS 7063-92-5), with molecular formula C28H30FN5O2S2 and molecular weight 551.1825 g/mol. IUPAC: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-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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