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717873-20-6 | Benzo[b]thiophene-2-carboxamide, 4,5,6,7-tetrahydro-N-2-pyridinyl- (9CI)
CAS No: 717873-20-6 Catalog No: AG00FJOM MDL No:
Product Description
Catalog Number:
AG00FJOM
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 4,5,6,7-tetrahydro-N-2-pyridinyl- (9CI)
CAS Number:
717873-20-6
IUPAC Name:
N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C14H14N2OS/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h3-4,7-9H,1-2,5-6H2,(H,15,16,17)
InChI Key:
GRUXDLNVJFMSTQ-UHFFFAOYSA-N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.339g/mol
Monoisotopic Mass:
258.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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