BRN 0869291

3-[(2-carboxy-1-methylindol-3-yl)-(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid

CAS: 58123-48-1

Molecular Formula	`C27H21ClN2O4`
Molecular Weight	472.9 g/mol
LogP	5.8
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	472.119
Heavy Atoms	34
Complexity	728.0

Chemical Identifiers

CAS Number	58123-48-1
SMILES	`CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3Cl)C4=C(N(C5=CC=CC=C54)C)C(=O)O`
InChIKey	`LJXQKCQLHWDGSY-UHFFFAOYSA-N`

📖 Product Overview

BRN 0869291 (CAS: 58123-48-1) is a chemical compound with molecular formula C27H21ClN2O4 and molecular weight 472.9 g/mol. Its IUPAC systematic name is 3-[(2-carboxy-1-methylindol-3-yl)-(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid. LogP 5.8 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 472.119 Heavy Atoms 34 Complexity 728.0 InChI Key: LJXQKCQLHWDGSY-UHFFFAOYSA-N. SMILES: CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3Cl)C4=C(N(C5=CC=CC=C54)C)C(=O)O.

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