BRN 0590778

2,4-dibromo-3-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol

CAS: 69405-84-1

Molecular Formula	`C25H22Br2N2O2`
Molecular Weight	542.3 g/mol
LogP	6.7
Topological Polar Surface Area	39.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	542.00275
Heavy Atoms	31
Complexity	576.0

Chemical Identifiers

CAS Number	69405-84-1
SMILES	`C1CN(CCN1CC2=CC3=C(C(=C(O3)Br)C4=CC=CC=C4)C(=C2O)Br)C5=CC=CC=C5`
InChIKey	`LOTMPDJSCQBKNX-UHFFFAOYSA-N`

📖 Product Overview

BRN 0590778 (CAS: 69405-84-1) is a chemical compound with molecular formula C25H22Br2N2O2 and molecular weight 542.3 g/mol. Its IUPAC systematic name is 2,4-dibromo-3-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol. LogP 6.7 Topological Polar Surface Area 39.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 542.00275 Heavy Atoms 31 Complexity 576.0 InChI Key: LOTMPDJSCQBKNX-UHFFFAOYSA-N. SMILES: C1CN(CCN1CC2=CC3=C(C(=C(O3)Br)C4=CC=CC=C4)C(=C2O)Br)C5=CC=CC=C5.

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