BRN 2794812

2-[[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid

CAS: 22708-52-7

Molecular Formula	`C22H23I3N2O4`
Molecular Weight	760.1 g/mol
LogP	5.1
Topological Polar Surface Area	86.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	759.8792
Heavy Atoms	31
Complexity	650.0

Chemical Identifiers

CAS Number	22708-52-7
SMILES	`CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N(CC)C(=O)C)I)C(=O)O`
InChIKey	`SWUXAZKPYJQPIF-UHFFFAOYSA-N`

📖 Product Overview

BRN 2794812 (CAS: 22708-52-7) is a chemical compound with molecular formula C22H23I3N2O4 and molecular weight 760.1 g/mol. Its IUPAC systematic name is 2-[[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid. LogP 5.1 Topological Polar Surface Area 86.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 759.8792 Heavy Atoms 31 Complexity 650.0 InChI Key: SWUXAZKPYJQPIF-UHFFFAOYSA-N. SMILES: CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N(CC)C(=O)C)I)C(=O)O.

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