AC1NLE04 structure

AC1NLE04

5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one

Also Known As: 5-[(4-hydroxy-3-nitro-phenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one|5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one

CAS: 4791-27-9
Molecular Formula C21H17F3N4O4S
Molecular Weight 478.09225 g/mol
LogP 4.1117
Topological Polar Surface Area 99.28 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 478.09225
Monoisotopic Mass 478.09225
Heavy Atoms 33
Complexity 1174.34

Chemical Identifiers

CAS Number 4791-27-9
SMILES C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)C(=CC4=CC(=C(C=C4)O)[N+](=O)[O-])S3

Product Overview

AC1NLE04 (CAS 4791-27-9), with molecular formula C21H17F3N4O4S and molecular weight 478.09225 g/mol. IUPAC: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-thiazol-4-one.

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