Clofutriben
4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide
Molecular Identity
Clofutriben
4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamide
PubChem CID: 44598960
2D Structure
Properties
C19H16ClF3N4O2
Molecular Formula
424.80
Molecular Weight
g/mol
424.0914
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
83
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)C(=O)N)F)OC3=C(C=C(C=C3F)Cl)FIsomeric SMILES
SMILES: CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)C(=O)N)F)OC3=C(C=C(C=C3F)Cl)FSynonyms(20)
Clofutriben1204178-50-6ASP3662SPI-62ASP-3662HDD-16974L1TY1U5VCAS2473662AS-24736624-(5-(2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)-3-fluorobenzamide4-{5-[2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-4H-1,2,4-triazol-3-yl}-3-fluorobenzamideRefChem:1146514-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-fluorobenzamideClofutribeneclofutriben [INN]
Data from PubChem (NCBI)
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