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AFK-108

CAT: 0013-GTR19200571-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200571-02Size:50 mg
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Description
AFK-108
CAS Number
135330-85-7
Field of Research
Infectious Disease & Virology
Smiles
C (CN1C=CN=C1) (OC/C=C (/CCC=C (C) C) \C) C2=C (Cl) C=C (Cl) C=C2
Molecular Formula
C21H26Cl2N2O
Molecular Weight
393.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Afk 108

structure given in first source

CAS Number135330-85-7
PubChem CID6438413
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.3
XLogP6.5
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity477
SMILES
CC(=CCC/C(=C/COC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C)C
InChI
InChI=1S/C21H26Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-11,13,15,21H,4,6,12,14H2,1-3H3/b17-9+
InChIKey
KUJPUHSUDJSBKU-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of Afk 108
CAS: 135330-85-7
CID: 6438413
Formula: C21H26Cl2N2O
MW: 393.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.3
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass392.1422188
Monoisotopic Mass392.1422188
Topological Polar Surface Area27.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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