AC1LRBS7 structure

AC1LRBS7

ethyl 11-methyl-6-(4-methyl-3-nitrobenzoyl)imino-7-(2-methylpropyl)-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 1-isobutyl-10-methyl-2-((4-methyl-3-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-10-methyl-2-{[(4-methyl-3-nitrophenyl)carbonyl]imino}-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 714922-80-2
Molecular Formula C27H27N5O6
Molecular Weight 517.1961 g/mol
LogP 3.74804
Topological Polar Surface Area 138.17 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 517.1961
Monoisotopic Mass 517.1961
Heavy Atoms 38
Complexity 1749.4641

Chemical Identifiers

CAS Number 714922-80-2
SMILES CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])CC(C)C

Product Overview

AC1LRBS7 (CAS 714922-80-2), with molecular formula C27H27N5O6 and molecular weight 517.1961 g/mol. IUPAC: ethyl 11-methyl-6-(4-methyl-3-nitrobenzoyl)imino-7-(2-methylpropyl)-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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