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Antifungal agent 77

CAT: 0013-GTR19217725-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217725-01Size:5 mg
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Description
Compound 13h, also known as Antifungal agent 77, demonstrates dual antifungal and insecticidal activities against key pests including Mythimna separata, Helicoverpa armigera, Ostrinia nubilalis, and Spodoptera frugiperda, with mortality rates of 30%, 25%, 40%, and 25% at 500 μg/mL. It also exhibits toxicity in zebrafish embryos, with an LC50 of 2.43 μg/mL, making it suitable for research in agrochemical and toxicological studies.
CAS Number
2863678-89-9
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC1=CC=C (F) C=C1) C2=CC=CC (=C2) C3=NOC (=N3) C4=CC (=NN4C) CC
Molecular Formula
C21H18FN5O2
Molecular Weight
391.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antifungal agent 77
CAS Number2863678-89-9
PubChem CID169450695
IUPAC Name3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide
Molecular FormulaC21H18FN5O2
Molecular Weight391.4
XLogP3.6
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity559
SMILES
CCC1=NN(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)F)C
InChI
InChI=1S/C21H18FN5O2/c1-3-16-12-18(27(2)25-16)21-24-19(26-29-21)13-5-4-6-14(11-13)20(28)23-17-9-7-15(22)8-10-17/h4-12H,3H2,1-2H3,(H,23,28)
InChIKey
AVAZQGYRWQFUBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 77
CAS: 2863678-89-9
CID: 169450695
Formula: C21H18FN5O2
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass391.14445300
Monoisotopic Mass391.14445300
Topological Polar Surface Area85.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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