AC1LUARR structure

AC1LUARR

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

Also Known As: (Z)-ethyl 1-(3-isopropoxypropyl)-10-methyl-2-((3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-10-methyl-2-{[(3-nitrophenyl)carbonyl]imino}-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 714253-98-2
Molecular Formula C28H29N5O7
Molecular Weight 547.2067 g/mol
LogP 3.59872
Topological Polar Surface Area 147.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 547.2067
Monoisotopic Mass 547.2067
Heavy Atoms 40
Complexity 1754.3092

Chemical Identifiers

CAS Number 714253-98-2
SMILES CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])CCCOC(C)C

Product Overview

AC1LUARR (CAS 714253-98-2), with molecular formula C28H29N5O7 and molecular weight 547.2067 g/mol. IUPAC: ethyl 11-methyl-6-(3-nitrobenzoyl)imino-2-oxo-7-(3-propan-2-yloxypropyl)-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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