Molecular Identity
Difenoconazole
1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
PubChem CID: 86173
Difenoconazole is a member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms. It has a role as a xenobiotic, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor, an environmental contaminant and an antifungal agrochemical. It is an aromatic ether, a member of triazoles, a dioxolane, a cyclic ketal, a conazole fungicide and a triazole fungicide.
2D Structure
Properties
C19H17Cl2N3O3
Molecular Formula
406.30
Molecular Weight
g/mol
405.0647
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
58.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
495
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Difenoconazole119446-68-3ScoreBardos NeuDifenoconazolDividend1-((2-(2-Chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazolePloverScore EC 250CGA 1693741H-1,2,4-Triazole, 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-DTXSID40323721-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1h-1,2,4-triazoleD9612XCH4P
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Difenoconazole
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