AC1M04CJ structure

AC1M04CJ

ethyl 6-benzoylimino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate

Also Known As: (Z)-ethyl 2-(benzoylimino)-10-methyl-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-10-methyl-5-oxo-1-pentyl-2-[(phenylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 845985-48-0
Molecular Formula C27H28N4O4
Molecular Weight 472.21106 g/mol
LogP 4.06562
Topological Polar Surface Area 95.03 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 472.21106
Monoisotopic Mass 472.21106
Heavy Atoms 35
Complexity 1534.6453

Chemical Identifiers

CAS Number 845985-48-0
SMILES CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CC=C3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C

Product Overview

AC1M04CJ (CAS 845985-48-0), with molecular formula C27H28N4O4 and molecular weight 472.21106 g/mol. IUPAC: ethyl 6-benzoylimino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-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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