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CAT: 0926-FND02976-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FND02976-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2205029-76-9
Smiles
C1=CC=C (C=C1) CC (C (=O) N) NC (=O) C2=NN (C3=CC=CC=C32) CCCCCF
Molecular Formula
C22H25FN4O2
Molecular Weight
396.5 g/mol
Controlled
Yes

Chemical Information

5F-App-pinaca, (+-)
CAS Number2205029-76-9
PubChem CID139596415
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)indazole-3-carboxamide
Molecular FormulaC22H25FN4O2
Molecular Weight396.5
XLogP3.5
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=NN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C22H25FN4O2/c23-13-7-2-8-14-27-19-12-6-5-11-17(19)20(26-27)22(29)25-18(21(24)28)15-16-9-3-1-4-10-16/h1,3-6,9-12,18H,2,7-8,13-15H2,(H2,24,28)(H,25,29)
InChIKey
OJTAHWMZBJRSIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5F-App-pinaca, (+-)
CAS: 2205029-76-9
CID: 139596415
Formula: C22H25FN4O2
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass396.19615422
Monoisotopic Mass396.19615422
Topological Polar Surface Area90 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
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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