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N 0745

CAT: 0013-GTR19208203-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208203-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N 0745
CAS Number
122853-28-5
Smiles
C (CNC (C) =O) C=1C=2C (NC1CC3=CC=CC=C3) =CC=C (OC) C2
Molecular Formula
C20H22N2O2
Molecular Weight
322.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methoxyluzindole
CAS Number122853-28-5
PubChem CID129776
IUPAC NameN-[2-(2-benzyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC20H22N2O2
Molecular Weight322.4
XLogP3.6
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
InChIKey
MUQOTEHRXIKHKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxyluzindole
CAS: 122853-28-5
CID: 129776
Formula: C20H22N2O2
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass322.168127949
Monoisotopic Mass322.168127949
Topological Polar Surface Area54.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T71182-01N 0745

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