AC1LYP29 structure

AC1LYP29

(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione

Also Known As: (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione|(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione|(Z)-5-((5-methylthiophen-2-yl)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

CAS: 373374-53-9
Molecular Formula C17H11F3N2O3S
Molecular Weight 380.04425 g/mol
LogP 3.74172
Topological Polar Surface Area 66.48 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 380.04425
Monoisotopic Mass 380.04425
Heavy Atoms 26
Complexity 946.7249

Chemical Identifiers

CAS Number 373374-53-9
SMILES CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F

Product Overview

AC1LYP29 (CAS 373374-53-9), with molecular formula C17H11F3N2O3S and molecular weight 380.04425 g/mol. IUPAC: (5Z)-5-[(5-methylthiophen-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.

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