AC1NWMLL structure

AC1NWMLL

2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid

Also Known As: 2-(4-{(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)propanoic acid|(Z)-2-(4-((1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-ethoxyphenoxy)propanoic acid|2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid

CAS: 767293-71-0
Molecular Formula C22H19ClN2O6S
Molecular Weight 474.06525 g/mol
LogP 3.4219
Topological Polar Surface Area 105.17 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 474.06525
Monoisotopic Mass 474.06525
Heavy Atoms 32
Complexity 1133.1542

Chemical Identifiers

CAS Number 767293-71-0
SMILES CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl)OC(C)C(=O)O

Product Overview

AC1NWMLL (CAS 767293-71-0), with molecular formula C22H19ClN2O6S and molecular weight 474.06525 g/mol. IUPAC: 2-[4-[(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxyphenoxy]propanoic acid.

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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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