AC1O1O1K structure

AC1O1O1K

ethyl 1-[3-[(Z)-(3-butyl-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-butyl-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-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-[3-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate|ethyl 1-{3-[(3-butyl-4-oxo-2-thioxo(1,3-thiazolidin-5-ylidene))methyl]-9-methy l-4-oxo-5-hydropyridino[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

CAS: 615271-98-2
Molecular Formula C25H30N4O4S2
Molecular Weight 514.17084 g/mol
LogP 3.78372
Topological Polar Surface Area 84.22 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 514.17084
Monoisotopic Mass 514.17084
Heavy Atoms 35
Complexity 1247.9917

Chemical Identifiers

CAS Number 615271-98-2
SMILES CCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)OCC)/SC1=S

Product Overview

AC1O1O1K (CAS 615271-98-2), with molecular formula C25H30N4O4S2 and molecular weight 514.17084 g/mol. IUPAC: ethyl 1-[3-[(Z)-(3-butyl-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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