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RLX-33

CAT: 0127-BUP05559-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05559-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2784577-71-3
Purity
=98%
Smiles
N(C(=O)C1CN(CC2=CC=CO2)C(=O)C1)C3=CC=C(C4=NC(=NO4)C5=CC=C(Cl)C=C5)C=C3

Chemical Information

Rlx-33
CAS Number2784577-71-3
PubChem CID164886639
IUPAC NameN-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
Molecular FormulaC24H19ClN4O4
Molecular Weight462.9
XLogP3
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity696
SMILES
C1C(CN(C1=O)CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H19ClN4O4/c25-18-7-3-15(4-8-18)22-27-24(33-28-22)16-5-9-19(10-6-16)26-23(31)17-12-21(30)29(13-17)14-20-2-1-11-32-20/h1-11,17H,12-14H2,(H,26,31)
InChIKey
LTOAWFRZXVPHAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rlx-33
CAS: 2784577-71-3
CID: 164886639
Formula: C24H19ClN4O4
MW: 462.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.9
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass462.1094828
Monoisotopic Mass462.1094828
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity696
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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