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AZ PFKFB3 26 25mg

CAT: 0628-A19281-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19281-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1704740-52-2

Chemical Information

AZ Pfkfb3 26
CAS Number1704740-52-2
PubChem CID118735769
IUPAC Name(2S)-N-[4-[3-cyano-1-(2-methylpropyl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
Molecular FormulaC24H26N4O2
Molecular Weight402.5
XLogP3.8
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity636
SMILES
CC(C)CN1C=C(C2=C1C=CC(=C2)OC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4)C#N
InChI
InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKey
OOGHGWKBJXQNEJ-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of AZ Pfkfb3 26
CAS: 1704740-52-2
CID: 118735769
Formula: C24H26N4O2
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass402.20557608
Monoisotopic Mass402.20557608
Topological Polar Surface Area79.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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