AC1NRDD3 structure

AC1NRDD3

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

Also Known As: 5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile

CAS: 7063-99-2
Molecular Formula C24H32N4O3S2
Molecular Weight 488.1916 g/mol
LogP 4.0565
Topological Polar Surface Area 78.57 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 488.1916
Monoisotopic Mass 488.1916
Heavy Atoms 33
Complexity 1035.6156

Chemical Identifiers

CAS Number 7063-99-2
SMILES CCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCC)N3CCOCC3)SC1=S

Product Overview

AC1NRDD3 (CAS 7063-99-2), with molecular formula C24H32N4O3S2 and molecular weight 488.1916 g/mol. IUPAC: 5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-morpholin-4-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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