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Antileishmanial agent-1

CAT: 0931-T40117-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T40117-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2454115-43-4
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antileishmanial agent-1 demonstrates activity against both L. amazonensis promastigotes (IC 50 = 15.52 μM) and intracellular amastigotes (IC 50 = 4.10 μM) .
Smiles
OC(c1cn(nn1)-c1ccc(Br)cc1)c1ccc(Br)cc1
Molecular Formula
C15H11Br2N3O
Molecular Weight
409.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antileishmanial agent-1
CAS Number2454115-43-4
PubChem CID162640604
IUPAC Name(4-bromophenyl)-[1-(4-bromophenyl)triazol-4-yl]methanol
Molecular FormulaC15H11Br2N3O
Molecular Weight409.07
XLogP3.6
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity331
SMILES
C1=CC(=CC=C1C(C2=CN(N=N2)C3=CC=C(C=C3)Br)O)Br
InChI
InChI=1S/C15H11Br2N3O/c16-11-3-1-10(2-4-11)15(21)14-9-20(19-18-14)13-7-5-12(17)6-8-13/h1-9,15,21H
InChIKey
ADBZXYOFJKVXLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antileishmanial agent-1
CAS: 2454115-43-4
CID: 162640604
Formula: C15H11Br2N3O
MW: 409.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.07
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass408.92484
Monoisotopic Mass406.92689
Topological Polar Surface Area50.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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