AC1LQ14L structure

AC1LQ14L

ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate

Also Known As: ethyl (4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate|(E)-ethyl 2-(4-((1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)acetate|ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate

CAS: 425654-46-2
Molecular Formula C21H16Cl2N2O5S
Molecular Weight 478.0157 g/mol
LogP 3.7666
Topological Polar Surface Area 84.94 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 478.0157
Monoisotopic Mass 478.0157
Heavy Atoms 31
Complexity 1085.6777

Chemical Identifiers

CAS Number 425654-46-2
SMILES CCOC(=O)COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl

Product Overview

AC1LQ14L (CAS 425654-46-2), with molecular formula C21H16Cl2N2O5S and molecular weight 478.0157 g/mol. IUPAC: ethyl 2-[4-[(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate.

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