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Compound Fr14271

CAT: 0013-GTR19270066-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270066-02Size:10 mg
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Description
Compound Fr14271, with CAS No. 260789-18-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14271 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
260789-18-2
Smiles
Clc1ccc (CSCCNC (=O) c2ccco2) cc1
Molecular Formula
C14H14ClNO2S
Molecular Weight
295.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

N-{2-[(4-chlorobenzyl)thio]ethyl}-2-furamide is a heteroarene and an aromatic amide.

CAS Number260789-18-2
PubChem CID2741886
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
Molecular FormulaC14H14ClNO2S
Molecular Weight295.8
XLogP3
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity283
SMILES
C1=COC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)
InChIKey
ZLSVDRZOHUGDIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
CAS: 260789-18-2
CID: 2741886
Formula: C14H14ClNO2S
MW: 295.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass295.0433776
Monoisotopic Mass295.0433776
Topological Polar Surface Area67.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity283
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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ALX-550-516-M025Compound A
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