Diclazuril
2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
Molecular Identity
Diclazuril
2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
PubChem CID: 456389
2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile is a nitrile.
2D Structure
Properties
C17H9Cl3N4O2
Molecular Formula
407.60
Molecular Weight
g/mol
405.9791
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
85.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
629
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)ClSynonyms(20)
DICLAZURIL101831-37-2ClinacoxNuoqiuVecoxanDiclazuriloDiclazurilumDTXSID4046787Diclazuril for veterinary useNSC-759642K110K1B1VER64,433P-644332,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrileDTXCID2026787
Data from PubChem (NCBI)
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