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Home Halogens 3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine

3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine

CAS No.:
223423-37-8
Catalog Number:
AG01BEKE
Molecular Formula:
C14H12BrNOS
Molecular Weight:
322.2202
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Product Description
Catalog Number:
AG01BEKE
Chemical Name:
3-(4-bromobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine
CAS Number:
223423-37-8
Molecular Formula:
C14H12BrNOS
Molecular Weight:
322.2202
MDL Number:
MFCD03118411
IUPAC Name:
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-bromophenyl)methanone
InChI:
InChI=1S/C14H12BrNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
InChI Key:
AGAHDIGCNBCTPK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.982g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.22g/mol
Monoisotopic Mass:
320.982g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors. Journal of medicinal chemistry 20020117
Properties