Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-

2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid

CAS: 70959-44-3

Molecular Formula	`C26H26N4O9`
Molecular Weight	538.5 g/mol
LogP	2.8
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	538.17
Heavy Atoms	39
Complexity	951.0

Chemical Identifiers

CAS Number	70959-44-3
SMILES	`CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)O)CC(=O)NC3=CC=CC=C3C(=O)O)CC`
InChIKey	`JPPSTJREFBUYLW-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis- (CAS: 70959-44-3) is a chemical compound with molecular formula C26H26N4O9 and molecular weight 538.5 g/mol. Its IUPAC systematic name is 2-[[2-[3-[2-(2-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid. LogP 2.8 Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 538.17 Heavy Atoms 39 Complexity 951.0 InChI Key: JPPSTJREFBUYLW-UHFFFAOYSA-N. SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2C(=O)O)CC(=O)NC3=CC=CC=C3C(=O)O)CC.

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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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-.

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