AC1MW2ZE structure

AC1MW2ZE

3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile

Also Known As: Oprea1_221070|3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile|3,6-diamino-2-[(4-bromophenyl)carbonyl]-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile

CAS: 476318-91-9
Molecular Formula C22H15BrN4O2S
Molecular Weight 478.00992 g/mol
LogP 5.00148
Topological Polar Surface Area 115.02 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 478.00992
Monoisotopic Mass 478.00992
Heavy Atoms 30
Complexity 1322.9993

Chemical Identifiers

CAS Number 476318-91-9
SMILES COC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)N)C#N

Product Overview

AC1MW2ZE (CAS 476318-91-9), with molecular formula C22H15BrN4O2S and molecular weight 478.00992 g/mol. IUPAC: 3,6-diamino-2-(4-bromobenzoyl)-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile.

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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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