2,6-Dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetamide - CAS 112206-56-1

Catalog:	BB068057
Product Name:	2,6-Dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetamide
CAS:	112206-56-1
Synonyms:	2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide; 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetamide; 2,6-Dichloro-\|A-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetamide; 2-(4-Chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide

Technical Data

IUPAC Name:	2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide
Description:	2,6-Dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetamide is an anticoccidial trazine intermediate in the synthesis of Diclazuril (D436200), an antiprotozoal agent that acts upon Coccidia parasites.
Molecular Weight:	425.65
Molecular Formula:	C17H11Cl3N4O3
Canonical SMILES:	C1=CC(=CC=C1C(C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)C(=O)N)Cl
InChI:	InChI=1S/C17H11Cl3N4O3/c18-9-3-1-8(2-4-9)14(16(21)26)15-11(19)5-10(6-12(15)20)24-17(27)23-13(25)7-22-24/h1-7,14H,(H2,21,26)(H,23,25,27)
InChI Key:	ASCDSDXZLHMPQY-UHFFFAOYSA-N
Melting Point:	>278°C (dec.)
Solubility:	DMSO
Appearance:	Light Pink Solid
Storage:	Refrigerator
References:	McFarland, J.W., et al. J. Med. Chem., 34, 1908 (1991).

Complexity:	627
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	423.989673
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	423.989673
Rotatable Bond Count:	4
Topological Polar Surface Area:	105Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2