AC1LYABK structure

AC1LYABK

ethyl 6-(3,5-dimethoxybenzoyl)imino-7-(3-ethoxypropyl)-11-methyl-2-oxo-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-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-2-{[(3,5-dimethoxyphenyl)carbonyl]imino}-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 850189-67-2
Molecular Formula C29H32N4O7
Molecular Weight 548.2271 g/mol
LogP 3.31922
Topological Polar Surface Area 122.72 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 10
Exact Mass 548.2271
Monoisotopic Mass 548.2271
Heavy Atoms 40
Complexity 1682.9994

Chemical Identifiers

CAS Number 850189-67-2
SMILES CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC(=C3)OC)OC)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C

Product Overview

AC1LYABK (CAS 850189-67-2), with molecular formula C29H32N4O7 and molecular weight 548.2271 g/mol. IUPAC: ethyl 6-(3,5-dimethoxybenzoyl)imino-7-(3-ethoxypropyl)-11-methyl-2-oxo-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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