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TCS JNK 5a 10mg

CAT: 0628-A11969-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11969-10Size:10 mg
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CAS Number
312917-14-9

Chemical Information

JNK inhibitor IX

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide is a naphthalenecarboxamide.

CAS Number312917-14-9
PubChem CID766949
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
Molecular FormulaC20H16N2OS
Molecular Weight332.4
XLogP5.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity527
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N
InChI
InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
InChIKey
WQGDQGAFSDMBLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JNK inhibitor IX
CAS: 312917-14-9
CID: 766949
Formula: C20H16N2OS
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass332.09833431
Monoisotopic Mass332.09833431
Topological Polar Surface Area81.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity527
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