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Compound Fr13480

CAT: 0931-Fr13480-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13480-02Size:2 mg
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CAS Number
667864-98-4
Bioactivity
Compound Fr13480, with CAS No. 667864-98-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13480 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.
Smiles
CN(C1CC2CC1C=C2)C(=O)c1cccs1 |c:8|
Molecular Formula
C13H15NOS
Molecular Weight
233.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N2-bicyclo[2.2.1]hept-5-en-2-yl-N2-methylthiophene-2-carboxamide
CAS Number667864-98-4
PubChem CID2805494
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-N-methylthiophene-2-carboxamide
Molecular FormulaC13H15NOS
Molecular Weight233.33
XLogP2.7
Topological Polar Surface Area48.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity328
SMILES
CN(C1CC2CC1C=C2)C(=O)C3=CC=CS3
InChI
InChI=1S/C13H15NOS/c1-14(13(15)12-3-2-6-16-12)11-8-9-4-5-10(11)7-9/h2-6,9-11H,7-8H2,1H3
InChIKey
VKFNIERQIFCMNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-bicyclo[2.2.1]hept-5-en-2-yl-N2-methylthiophene-2-carboxamide
CAS: 667864-98-4
CID: 2805494
Formula: C13H15NOS
MW: 233.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.33
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass233.08743528
Monoisotopic Mass233.08743528
Topological Polar Surface Area48.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13490-01Compound Fr13490
Fr13840-01Compound Fr13840
Fr13470-01Compound Fr13470
Fr13380-01Compound Fr13380
Fr13484-01Compound Fr13484
Fr13580-01Compound Fr13580
Fr13482-01Compound Fr13482
Fr13460-01Compound Fr13460
Fr13430-01Compound Fr13430
Fr13420-01Compound Fr13420

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