AC1O0WBQ structure

AC1O0WBQ

ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate

Also Known As: ethyl 4-(4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|(Z)-ethyl 4-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate|ethyl 4-{4-oxo-3-[(4-oxo-3-prop-2-enyl-2-thioxo(1,3-thiazolidin-5-ylidene))met hyl]-5-hydropyridino[1,2-a]pyrimidin-2-yl}piperazinecarboxylate

CAS: 607692-85-3
Molecular Formula C22H23N5O4S2
Molecular Weight 485.11914 g/mol
LogP 2.3602
Topological Polar Surface Area 87.46 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 485.11914
Monoisotopic Mass 485.11914
Heavy Atoms 33
Complexity 1216.978

Chemical Identifiers

CAS Number 607692-85-3
SMILES CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC=C

Product Overview

AC1O0WBQ (CAS 607692-85-3), with molecular formula C22H23N5O4S2 and molecular weight 485.11914 g/mol. IUPAC: ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-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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