Home Carboxys 2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

CAS No.:
314032-09-2
Catalog Number:
AG019VCN
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
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Product Description
Catalog Number:
AG019VCN
Chemical Name:
2-(pyridine-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Number:
314032-09-2
Molecular Formula:
C15H14N2O3S
Molecular Weight:
302.3483
MDL Number:
MFCD00705119
IUPAC Name:
2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C15H14N2O3S/c18-13(9-4-3-7-16-8-9)17-14-12(15(19)20)10-5-1-2-6-11(10)21-14/h3-4,7-8H,1-2,5-6H2,(H,17,18)(H,19,20)
InChI Key:
WHEMZBRXXLGJRX-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Nc1sc2c(c1C(=O)O)CCCC2
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.073g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
302.348g/mol
Monoisotopic Mass:
302.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties