AC1NWJK9 structure

AC1NWJK9

(6Z)-5-imino-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Also Known As: (6Z)-5-imino-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

CAS: 428463-79-0
Molecular Formula C22H17F3N4O3S
Molecular Weight 474.09735 g/mol
LogP 4.63429
Topological Polar Surface Area 87.34 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 474.09735
Monoisotopic Mass 474.09735
Heavy Atoms 33
Complexity 1190.1173

Chemical Identifiers

CAS Number 428463-79-0
SMILES CC1=CC(=CC=C1)OCCOC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C(F)(F)F

Product Overview

AC1NWJK9 (CAS 428463-79-0), with molecular formula C22H17F3N4O3S and molecular weight 474.09735 g/mol. IUPAC: (6Z)-5-imino-6-[[4-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

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