AC1NYQJL structure

AC1NYQJL

ethyl 1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate

Also Known As: ethyl 1-(3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate|(Z)-ethyl 1-(3-((3-(sec-butyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate|ethyl 1-(9-methyl-3-{[3-(methylpropyl)-4-oxo-2-thioxo(1,3-thiazolidin-5-yliden e)]methyl}-4-oxo-5-hydropyridino[1,2-a]pyrimidin-2-yl)piperidine-4-carboxylate|ethyl 1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate

CAS: 615271-80-2
Molecular Formula C25H30N4O4S2
Molecular Weight 514.17084 g/mol
LogP 3.78212
Topological Polar Surface Area 84.22 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 514.17084
Monoisotopic Mass 514.17084
Heavy Atoms 35
Complexity 1264.0806

Chemical Identifiers

CAS Number 615271-80-2
SMILES CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)/SC1=S

Product Overview

AC1NYQJL (CAS 615271-80-2), with molecular formula C25H30N4O4S2 and molecular weight 514.17084 g/mol. IUPAC: ethyl 1-[3-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate.

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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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