AC1LXKQ2 structure

AC1LXKQ2

4-[(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Also Known As: Salor-int l434760-1ea|BAS 03353641|(Z)-4-(5-((2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|4-(5-((2-(Ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|F1260-1564|4-[(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid|4-((5Z)-5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid|4-[(5Z)-5-{[2-(ETHYLAMINO)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID|4-[(5Z)-5-{[2-(ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

CAS: 469879-40-1
Molecular Formula C18H18N4O4S2
Molecular Weight 418.07693 g/mol
LogP 2.1923
Topological Polar Surface Area 104.01 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 418.07693
Monoisotopic Mass 418.07693
Heavy Atoms 28
Complexity 1047.5476

Chemical Identifiers

CAS Number 469879-40-1
SMILES CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O

Product Overview

AC1LXKQ2 (CAS 469879-40-1), with molecular formula C18H18N4O4S2 and molecular weight 418.07693 g/mol. IUPAC: 4-[(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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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