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GluR6 antagonist-1

CAT: 0127-BUP09893-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09893-01Size:5 mg
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CAS Number
323176-64-3
Purity
=98%
Smiles
ClC=1C=2C(SC1C(NCC=3C=CC=NC3)=O)=CC=CC2

Chemical Information

3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CAS Number323176-64-3
PubChem CID673385
IUPAC Name3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
Molecular FormulaC15H11ClN2OS
Molecular Weight302.8
XLogP3.6
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity355
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CN=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2OS/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19)
InChIKey
FLKPRONUHHJNKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CAS: 323176-64-3
CID: 673385
Formula: C15H11ClN2OS
MW: 302.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight302.8
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass302.0280618
Monoisotopic Mass302.0280618
Topological Polar Surface Area70.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity355
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