AC1NRC0R structure

AC1NRC0R

11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Also Known As: 11-(5-{[5-Cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid|11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

CAS: 7063-59-4
Molecular Formula C30H43N5O4S2
Molecular Weight 601.27563 g/mol
LogP 4.9869
Topological Polar Surface Area 109.88 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 15
Exact Mass 601.27563
Monoisotopic Mass 601.27563
Heavy Atoms 41
Complexity 1244.739

Chemical Identifiers

CAS Number 7063-59-4
SMILES CCN1CCN(CC1)C2=C(C(=C(C(=O)N2CC)C#N)C)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O

Product Overview

AC1NRC0R (CAS 7063-59-4), with molecular formula C30H43N5O4S2 and molecular weight 601.27563 g/mol. IUPAC: 11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.

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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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