AC1NRDUM structure

AC1NRDUM

5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propylpyridine-3-carbonitrile

Also Known As: 5-({3-[(4-Methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile|5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propylpyridine-3-carbonitrile

CAS: 7064-13-3
Molecular Formula C28H32N4O3S2
Molecular Weight 536.1916 g/mol
LogP 5.0847
Topological Polar Surface Area 78.57 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 536.1916
Monoisotopic Mass 536.1916
Heavy Atoms 37
Complexity 1333.1666

Chemical Identifiers

CAS Number 7064-13-3
SMILES CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)OC)N4CCC(CC4)C

Product Overview

AC1NRDUM (CAS 7064-13-3), with molecular formula C28H32N4O3S2 and molecular weight 536.1916 g/mol. IUPAC: 5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(4-methylpiperidin-1-yl)-2-oxo-1-propylpyridine-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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