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Home Carboxys 2-(furan-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

2-(furan-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

CAS No.:
315709-88-7
Catalog Number:
AG00I5ZB
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
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Product Description
Catalog Number:
AG00I5ZB
Chemical Name:
2-(furan-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid
CAS Number:
315709-88-7
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
MDL Number:
MFCD02330287
IUPAC Name:
2-(furan-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
InChI:
InChI=1S/C13H11NO4S/c15-11(8-4-2-6-18-8)14-12-10(13(16)17)7-3-1-5-9(7)19-12/h2,4,6H,1,3,5H2,(H,14,15)(H,16,17)
InChI Key:
QEJWSZQBVQQCHL-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Nc1sc2c(c1C(=O)O)CCC2
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties