200,000+ products from a single source!
sales@angenechem.com
685542-19-2 | 3-Isoxazolecarboxamide,N-2,5-dithia-7-azabicyclo[2.2.1]hept-7-yl-5-methyl-
CAS No: 685542-19-2 Catalog No: AG00FTGD MDL No:MFCD04123180
Product Description
Catalog Number:
AG00FTGD
Chemical Name:
3-Isoxazolecarboxamide,N-2,5-dithia-7-azabicyclo[2.2.1]hept-7-yl-5-methyl-
CAS Number:
685542-19-2
Molecular Formula:
C9H11N3O2S2
Molecular Weight:
257.3325
MDL Number:
MFCD04123180
IUPAC Name:
N-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C9H11N3O2S2/c1-5-2-6(11-14-5)9(13)10-12-7-3-15-8(12)4-16-7/h2,7-8H,3-4H2,1H3,(H,10,13)
InChI Key:
TXHGODZIIYMHOL-UHFFFAOYSA-N
SMILES:
O=C(c1noc(c1)C)NN1C2SCC1SC2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.326g/mol
Monoisotopic Mass:
257.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.