BRN 2919599

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

CAS: 22708-45-8

Molecular Formula	`C20H19I3N2O4`
Molecular Weight	732.1 g/mol
LogP	4.2
Topological Polar Surface Area	86.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	731.8479
Heavy Atoms	29
Complexity	598.0

Chemical Identifiers

CAS Number	22708-45-8
SMILES	`CCN(C1=C(C=C(C(=C1I)C(=O)NC2=CC=C(C=C2)CCC(=O)O)I)I)C(=O)C`
InChIKey	`XWTKEJJYSRRQPC-UHFFFAOYSA-N`

📖 Product Overview

BRN 2919599 (CAS: 22708-45-8) is a chemical compound with molecular formula C20H19I3N2O4 and molecular weight 732.1 g/mol. Its IUPAC systematic name is 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid. LogP 4.2 Topological Polar Surface Area 86.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 731.8479 Heavy Atoms 29 Complexity 598.0 InChI Key: XWTKEJJYSRRQPC-UHFFFAOYSA-N. SMILES: CCN(C1=C(C=C(C(=C1I)C(=O)NC2=CC=C(C=C2)CCC(=O)O)I)I)C(=O)C.

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