AC1LQCX8 structure

AC1LQCX8

(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: (5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione|(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(Z)-5-((2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

CAS: 676644-01-2
Molecular Formula C22H17FN4O2S
Molecular Weight 420.10562 g/mol
LogP 3.45954
Topological Polar Surface Area 67.23 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 420.10562
Monoisotopic Mass 420.10562
Heavy Atoms 30
Complexity 1199.8804

Chemical Identifiers

CAS Number 676644-01-2
SMILES CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

Product Overview

AC1LQCX8 (CAS 676644-01-2), with molecular formula C22H17FN4O2S and molecular weight 420.10562 g/mol. IUPAC: (5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.

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