AC1MXJLE structure

AC1MXJLE

ethyl 6-(4-ethoxybenzoyl)imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-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-((4-ethoxybenzoyl)imino)-10-methyl-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-2-{[(4-ethoxyphenyl)carbonyl]imino}-10-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 844446-98-6
Molecular Formula C29H30N4O6
Molecular Weight 530.21655 g/mol
LogP 3.45312
Topological Polar Surface Area 113.49 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 530.21655
Monoisotopic Mass 530.21655
Heavy Atoms 39
Complexity 1681.1495

Chemical Identifiers

CAS Number 844446-98-6
SMILES CCOC1=CC=C(C=C1)C(=O)N=C2C(=CC3=C(N2CC4CCCO4)N=C5C(=CC=CN5C3=O)C)C(=O)OCC

Product Overview

AC1MXJLE (CAS 844446-98-6), with molecular formula C29H30N4O6 and molecular weight 530.21655 g/mol. IUPAC: ethyl 6-(4-ethoxybenzoyl)imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.

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